@article {1425,
	title = {Investigation of a 2D two-point maximum entropy regularization method for signal-to-noise ratio enhancement: application to CT polymer gel dosimetry},
	journal = {Physics in Medicine and Biology},
	volume = {51},
	number = {10},
	year = {2006},
	note = {ISI Document Delivery No.: 054NQTimes Cited: 13Cited Reference Count: 32},
	month = {May},
	pages = {2599-2617},
	type = {Article},
	abstract = {This study presents a new method of image signal-to-noise ratio (SNR) enhancement by utilizing a newly developed 2D two-point maximum entropy regularization method (TPMEM). When utilized as an image filter, it is shown that 2D TPMEM offers unsurpassed flexibility in its ability to balance the complementary requirements of image smoothness and fidelity. The technique is evaluated for use in the enhancement of x-ray computed tomography (CT) images of irradiated polymer gels used in radiation dosimetry. We utilize a range of statistical parameters (e.g. root-mean square error, correlation coefficient, error histograms, Fourier data) to characterize the performance of TPMEM applied to a series of synthetic images of varying initial SNR. These images are designed to mimic a range of dose intensity patterns that would occur in x-ray CT polymer gel radiation dosimetry. Analysis is extended to a CT image of a polymer gel dosimeter irradiated with a stereotactic radiation therapy dose distribution. Results indicate that TPMEM performs strikingly well on radiation dosimetry data, significantly enhancing the SNR of noise-corrupted images (SNR enhancement factors > 15 are possible) while minimally distorting the original image detail (as shown by the error histograms and Fourier data). It is also noted that application of this new TPMEM filter is not restricted exclusively to x-ray CT polymer gel dosimetry image data but can in future be extended to a wide range of radiation dosimetry data.},
	keywords = {ASTRONOMY, DECONVOLUTION, DOSE DISTRIBUTIONS, FT-RAMAN, IMAGE-RESTORATION, RADIATION, RESOLUTION, SPECTRA, TOMOGRAPHY, X-RAY},
	isbn = {0031-9155},
	url = {<Go to ISI>://000238384700016},
	author = {Jirasek, A. and Matthews, Q. and Hilts, M. and Schulze, G. and Blades, M. W. and Burner, R. F. B.}
}
@article {1611,
	title = {Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization},
	journal = {Acta Crystallographica Section B-Structural Science},
	volume = {62},
	year = {2006},
	note = {ISI Document Delivery No.: 018ZGTimes Cited: 19Cited Reference Count: 22Part 1},
	month = {Feb},
	pages = {128-134},
	type = {Article},
	abstract = {Structural changes taking place in a crystal during an intramolecular photochemical reaction [ the Yang photocyclization of the alpha- methylbenzylamine salt with 1-( 4- carboxybenzoyl)1- methyladamantane] were monitored step- by- step using X- ray structure analysis. This is the first example of such a study carried out for an intramolecular photochemical reaction. During the photoreaction, both the reactant and product molecules change their orientation, but the reactant changes more rapidly after the reaction is about 80\% complete. The distance between directly reacting atoms in the reactant molecule is almost constant until about 80\% reaction progress and afterwards decreases. The torsion angle defined by the reactant atoms that form the cyclobutane ring also changes in the final stages of the photoreaction. These phenomena are explained in terms of the influence of many product molecules upon a small number of reacting molecules. The adamantane portion shifts more than the remaining part of the anionic reactant species during the reaction, which is explained in terms of hydrogen bonding. The structural changes are accompanied by changes in the cell constants. The results obtained in the present study are compared with analogous results published for intermolecular reactions.},
	keywords = {INCLUSION CRYSTALS, PHOTO-DIMERIZATION, PHOTODIMERIZATION, SINGLE-CRYSTAL, X-RAY},
	isbn = {0108-7681},
	url = {<Go to ISI>://000235803600014},
	author = {Turowska-Tyrk, I. and Trzop, E. and Scheffer, J. R. and Chen, S.}
}
@article {1476,
	title = {Synthesis and reactivity of side-on-bound dinitrogen metal complexes},
	journal = {Organometallics},
	volume = {25},
	number = {7},
	year = {2006},
	note = {ISI Document Delivery No.: 025SVTimes Cited: 59Cited Reference Count: 107},
	month = {Mar},
	pages = {1530-1543},
	type = {Review},
	abstract = {An up-to-date account of the Synthesis of side-on-bound dinitrogen complexes of the lanthanides, the actinides, and the transition elements over the past 40 years is given. In addition, the reactivity of these derivatives is summarized. There have been many complicated multinuclear Cluster complexes with the N-2 imbedded in a fashion that corresponds to side-on N-2. There have been some suggestions, as early as 1960. that side-on dinitrogen complexes should exist. However, a key date in this area is 1988, which is when the disamarium Complex (CP*Sm-2)(2)(mu-eta(2):eta(2)-N-2) was reported. It is this date that is used in this account as the real starting point for the area of side-on dinitrogen coordination chemistry. After 1988, side-on dinitrogen complexes are reviewed from the point of view of Synthesis, structure (N-N bond lengths, where applicable), and reactivity. What becomes apparent is that while there have been many new side-on dinitrogen complexes discovered recently, investigations into their reactivity patterns are still at a primitive stage.},
	keywords = {BRIDGING N-2 UNIT, COORDINATED DINITROGEN, DINUCLEAR TANTALUM COMPLEX, ELECTRONIC-STRUCTURE, END-ON, MOLECULAR NITROGEN, NICKEL-LITHIUM COMPLEX, RAY CRYSTAL-STRUCTURE, REDUCTION SYSTEM, X-RAY},
	isbn = {0276-7333},
	url = {<Go to ISI>://000236288100002},
	author = {MacLachlan, E. A. and Fryzuk,Michael D.}
}
@article {939,
	title = {Rhodium-hydrido-benzylamine-triphenylphosphine complexes: Solid-state and solution structures and implications in catalyzed imine hydrogenation},
	journal = {Inorganic Chemistry},
	volume = {43},
	number = {21},
	year = {2004},
	note = {ISI Document Delivery No.: 862KITimes Cited: 10Cited Reference Count: 26},
	month = {Oct},
	pages = {6838-6841},
	type = {Article},
	abstract = {The complexes cis, trans, cis-[Rh(H)(2)(PPh3)(2)(NH2CH2Ph)(2)]PF6 (1) and cis-[Rh(PPh3)(2)(NH2CH2Ph)(2)]PF6 (2) are characterized by X-ray crystallography; the structures are maintained in CH2Cl2 where the species are in equilibrium under H-2. In MeOH and in acetone, loss of amine and/or H-2 can occur. Traces of 1 and 2 are present after a Rh-catalyzed H-2-hydrogenation of PhCH=NCH2Ph in MeOH, where the amine is generated by hydrolysis of the imine substrate through adventitious water. The findings are relevant to catalyst poisoning in the catalytic process.},
	keywords = {CATIONIC COMPLEXES, CRYSTAL, DIHYDRIDO COMPLEXES, LIGANDS, metals, X-RAY},
	isbn = {0020-1669},
	url = {<Go to ISI>://000224489100049},
	author = {Marcazzan, P. and Patrick, B. O. and James, Brian R.}
}
@article {813,
	title = {Structure of the N-terminal half of gelsolin bound to actin: roles in severing, apoptosis and FAF},
	journal = {Embo Journal},
	volume = {23},
	number = {14},
	year = {2004},
	note = {ISI Document Delivery No.: 847NBTimes Cited: 41Cited Reference Count: 59},
	month = {Jul},
	pages = {2713-2722},
	type = {Article},
	abstract = {The actin filament-severing functionality of gelsolin resides in its N-terminal three domains (G1 - G3). We have determined the structure of this fragment in complex with an actin monomer. The structure reveals the dramatic domain rearrangements that activate G1 - G3, which include the replacement of interdomain interactions observed in the inactive, calcium-free protein by new contacts to actin, and by a novel G2 - G3 interface. Together, these conformational changes are critical for actin filament severing, and we suggest that their absence leads to the disease Finnish-type familial amyloidosis. Furthermore, we propose that association with actin drives the calcium-independent activation of isolated G1 G3 during apoptosis, and that a similar mechanism operates to activate native gelsolin at micromolar levels of calcium. This is the first structure of a filament-binding protein bound to actin and it sets stringent, high-resolution limitations on the arrangement of actin protomers within the filament.},
	keywords = {5-BISPHOSPHATE, actin, AMYLOIDOSIS-FINNISH TYPE, apoptosis, BINDING-SITE, CA2+ REGULATION, calcium, CRYSTAL-STRUCTURE, crystallographic structure, F-ACTIN, FAMILIAL AMYLOIDOSIS, FILAMENT BARBED ENDS, gelsolin, PHOSPHATIDYLINOSITOL 4, PLASMA GELSOLIN, X-RAY},
	isbn = {0261-4189},
	url = {<Go to ISI>://000223398800002},
	author = {Burtnick, L. D. and Urosev, D. and Irobi, E. and Narayan, K. and Robinson, R. C.}
}
@article {Funk2004,
	title = {X-ray magnetic circular dichroism of Pseudomonas aeruginosa nickel(II) azurin.},
	journal = {J. Am. Chem. Soc.},
	volume = {126},
	number = {18},
	year = {2004},
	pages = {5859{\textendash}66},
	abstract = {We show that X-ray magnetic circular dichroism (XMCD) can be employed to probe the oxidation states and other electronic structural features of nickel active sites in proteins. As a calibration standard, we have measured XMCD and X-ray absorption (XAS) spectra for the nickel(II) derivative of Pseudomonas aeruginosa azurin (NiAz). Our analysis of these spectra confirms that the electronic ground state of NiAz is high-spin (S = 1); we also find that the L(3)-centroid energy is 853.1(1) eV, the branching ratio is 0.722(4), and the magnetic moment is 1.9(4) mu(B). Density functional theory (DFT) calculations on model NiAz structures establish that orbitals 3d(x2-y2) and 3d(z2) are the two valence holes in the high-spin Ni(II) ground state, and in accord with the experimentally determined orbital magnetic moment, the DFT results also demonstrate that both holes are highly delocalized, with 3d(x2-y2) having much greater ligand character.},
	keywords = {Azurin, Azurin: chemistry, circular dichroism, Circular Dichroism: methods, copper, Copper: chemistry, CRYSTALLOGRAPHY, LIGANDS, Magnetics, models, MOLECULAR, Molecular Conformation, NICKEL, Nickel: chemistry, PDF, Pseudomonas aeruginosa, Pseudomonas aeruginosa: chemistry, X-RAY, X-Rays},
	issn = {0002-7863},
	doi = {10.1021/ja036218d},
	url = {http://www.ncbi.nlm.nih.gov/pubmed/15125678},
	author = {Funk, Tobias and Kennepohl, Pierre and Di Bilio, Angel J and Wehbi, William a and Young, Anthony T and Friedrich, Stephan and Arenholz, Elke and Gray, Harry B and Cramer, Stephen P}
}
@article {716,
	title = {Dichloro(diphosphine)(2-pyridyl-ketone)ruthenium(II) complexes},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {81},
	number = {11},
	year = {2003},
	note = {ISI Document Delivery No.: 746YXTimes Cited: 9Cited Reference Count: 31},
	month = {Nov},
	pages = {1263-1269},
	type = {Article},
	abstract = {Described are the synthesis and characterization of Ru(II) complexes of the type RuCl2L2(N-O), where L-2 is either 1,4-bis(diphenylphosphino)butane (dppb) or (PPh3)(2), and N-O represents chelated 2-benzoylpyridine (2-bzpy) or 2-acetylpyridine (2-acpy); the Ru presursors used were [RuCl2(dppb)](2)(mu-dppb) or RuCl2(PPh3)(3). The crystal structure of cis-RuCl2(dppb)(2-bzpy) is presented, and three other RuCl2L2(N-O) complexes with cis-chlorines are isolated and characterized spectroscopically; of the trans-dichloro species, RuCl2(PPh3)(2)(N-O) complexes are isolated, while the corresponding dppb species are characterized in situ. In all cases, thermodynamically stable cis-complexes are formed from initially formed trans-species.},
	keywords = {2, 2-acetylpyridine, 2-benzoylpyridine, 2{\textquoteright}-BIPYRIDINE, CRYSTAL-STRUCTURE, DONOR, ISOMERIZATION, LIGANDS, phosphines, REDOX POTENTIALS, ruthenium, ruthenium complexes, structures, X-RAY},
	isbn = {0008-4042},
	url = {<Go to ISI>://000186777600018},
	author = {Queiroz, S. L. and Batista, A. A. and de Araujo, M. P. and Bianchini, R. C. and Oliva, G. and Ellena, J. and James, Brian R.}
}
@article {770,
	title = {sigma-bonded metal carbonyl cations and their derivatives: Syntheses and structural, spectroscopic, and bonding principles},
	journal = {Organometallics},
	volume = {22},
	number = {18},
	year = {2003},
	note = {ISI Document Delivery No.: 716AGTimes Cited: 22Cited Reference Count: 150},
	month = {Sep},
	pages = {3612-3633},
	type = {Review},
	abstract = {Homoleptic sigma-bonded metal carbonyl cations (sigma-carbonyls) and their derivatives have grown in recent years into a large subgroup of mononuclear metal carbonyl complexes. They are at present formed by 17 elements, including the post transition metal mercury. Most are generated in superacids: the Lewis superacid SbF5 and the conjugate Bronsted-Lewis superacid HF-SbF5. Thermally stable salts are formed with the superacid anions [Sb2F11](-) and [SbF6](-). Many of the cations are superelectrophilic, with metals in oxidation states of +2 or +3. Three different synthetic routes are developed: reductive (A) or solvolytic carbonylations (B) and oxidative methods (C). Considerable progress has been made by replacing the Lewis superacid SbF5 as reaction medium by the conjugate Bronsted-Lewis superacid HF-SbF5. This allows reactions to proceed faster in a homogeneous phase and to produce crystalline materials. In total 27 mostly recent molecular structures have been obtained, including that of [Ir(CO)(6)] [SbF6](3)(.)4HF, the first HF solvate with one of the HF molecules coordinated in an isotridentate mode to three carbon atoms of the cation. Due to the electrophilic nature of the carbonyl carbon in fluoroantimonate salts of metal carbonyl cations, extended structures are formed via significant interionic C{\textendash}- F contacts. A new a-bonded carbonyl, (CF3)(3)BCO, which has been fully characterized, expands the existence range of metal carbonyl cations to group 13. The large amount of spectroscopic and structural information accumulated is used to present a conceptually simple bonding model.},
	keywords = {CONCENTRATED SULFURIC-ACID, DENSITY-FUNCTIONAL CALCULATION, EFFECTIVE IONIC-RADII, HSO3F-SBF5, LEWIS SUPERACID, MAS-NMR-SPECTRA, MOLECULAR-STRUCTURE, NUCLEAR-MAGNETIC-RESONANCE, VIBRATIONAL-SPECTRA, WEAKLY COORDINATING ANIONS, X-RAY},
	isbn = {0276-7333},
	url = {<Go to ISI>://000185006200002},
	author = {Willner, H. and Aubke, F.}
}
@article {358,
	title = {Formation of ruthenium(II)-bis(phosphine) monoxide complexes from the bis(phosphine) precursors: BINAP-monoxide (BINAPO) as a six-electron (P,O,eta(2)-naphthyl) donor},
	journal = {Organometallics},
	volume = {21},
	number = {22},
	year = {2002},
	note = {ISI Document Delivery No.: 607EFTimes Cited: 31Cited Reference Count: 105},
	month = {Oct},
	pages = {4672-4679},
	type = {Review},
	abstract = {{Aerobic oxidation of one P atom in cis-RuCl2(P-P)(L-2) complexes (P-P = (R)-BINAP (2,2{\textquoteright}-bis(diphenylphosphino)-1,1{\textquoteright}-binaphthyl) or dppb (1,4-bis(diphenylphosphino)butane)},
	keywords = {ASYMMETRIC HYDROGENATION, CATALYTIC ENANTIOSELECTIVE, CHIRAL RUTHENIUM(II) CATALYSTS, COORDINATION CHEMISTRY, DIELS-ALDER REACTIONS, HYDROGENATION, MEO-BIPHEP, P-C BOND, PHOSPHINE OXIDE LIGANDS, STEREOSELECTIVE, X-RAY},
	isbn = {0276-7333},
	url = {<Go to ISI>://000178778100015},
	author = {Cyr, P. W. and Rettig, S. J. and Patrick, B. O. and James, Brian R.}
}
@article {5115,
	title = {Complexes of phosphine-phenolate ligands with the [Re=O](3+) and [Re(HNNC5H4N)(NNC5H4N)](2+) cores},
	journal = {Journal of the Chemical Society-Dalton Transactions},
	number = {20},
	year = {2001},
	note = {ISI Document Delivery No.: 487VFTimes Cited: 5Cited Reference Count: 62},
	pages = {3015-3024},
	type = {Article},
	abstract = {{Complexes incorporating the [Re=O](3+) core have been synthesised with ligands containing the new methyl substituted phosphine-phenolate PO and PO2 donor sets, (2-hydroxy-5-methylphenyl) diphenylphosphine (H(MePO)) and bis(2-hydroxy-5-methylphenyl) phenylphosphine (H-2(Me2PO2)). The analogous tert-butyl ligands, (5-tert-butyl-2-hydroxyphenyl)diphenylphosphine (H(t-BuPO)) and bis(5-tert-butyl-2-hydroxyphenyl) phenylphosphine (H-2 (t-Bu2PO2)), were also prepared. Reaction of either mer-[ReOCl3 (PPh3)(2)] or [NH4][ReO4] in CH3OH with H(MePO) led to formation of [ReOCl(MePO)(2)] (1) in good yield. Reaction of [NH4][ReO4] with H-2 (Me2PO2) in CH3OH afforded [ReO(Me2PO2)(H(Me2PO2))] (2), also in good yield. X-Ray crystallographic analyses of 1 and 2 demonstrated that both complexes are neutral and octahedral, and contain the oxo moiety. Two complexes have been structurally characterised from the reaction of (o-hydroxyphenyl) diphenylphosphine (HPO) with [Re(Hhypy)(hypyH)Cl-3]: [Re(Hhypy)(hypy)(PO)(HPO)]Cl (3) and [ReCl(Hypy)(hypy)(PO)] (4) (hypy = NNC5H4N},
	keywords = {CHELATE COMPLEXES, COORDINATION-COMPOUNDS, CRYSTAL-STRUCTURE, IIB/IIIA-RECEPTOR ANTAGONIST, MOLECULAR-STRUCTURES, rhenium, STRUCTURE, TC-99M, TECHNETIUM RADIOPHARMACEUTICALS, WATER-SOLUBLE PHOSPHINES, X-RAY},
	isbn = {1472-7773},
	url = {<Go to ISI>://000171899200011},
	author = {Kovacs, M. S. and Hein, P. and Sattarzadeh, S. and Patrick, B. O. and Emge, T. J. and Orvig, Chris}
}
@article {4733,
	title = {Organometallic oxides: preparation of the cluster [(eta-C5Me5)Mo](4)O-7 by reduction of [(eta-C5Me5)MoCl(O)](2)(mu-O) or (eta-C5Me5)MoCl2(O)},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {78},
	number = {3},
	year = {2000},
	note = {ISI Document Delivery No.: 296TVTimes Cited: 5Cited Reference Count: 63},
	month = {Mar},
	pages = {383-394},
	type = {Article},
	abstract = {Reduction of [(eta-C5Me5)MoCl(O)](2)(mu-O) or (eta-C5Me5)MoCl2(O) with sodium or magnesium amalgam, magnesium turnings, or tributyltin hydride produced [(eta-C5Me5)Mo](4)O-7, with [(eta-C5Me5)Mo(O)(mu-O)](2) as a co-product. [(eta-C5Me5)Mo](4)O-7 was characterized by X-ray diffraction, mass spectrometry, H-1 NMR and IR spectroscopies, and magnetism. Crystals of [(eta-C5Me5)Mo](4)O-7 contained a tetrahedral [(eta-C5Me5)Mo](4) unit (Mo-Mo = 2.909 (3) Angstrom) with the Mo4O7 core having the structure Mo-4(mu(2)-O(b))(3)(mu(2)-O(c))(3)(mu(3)-O(a)) (3). Microcrystalline samples of [(eta-C5Me5)Mo](4)O-7 were paramagnetic over the temperature range 2-300 K, with an effective moment of 1.26 mu(B) at 300 K. [(eta-C5Me5)Mo](4)O-7 was also paramagnetic in chloroform solution, over the temperature range 223-298 K, with an effective moment of 1.43 mu(B) at 298 K. The H-1 NMR spectrum showed a broad resonance at 16.3 ppm (delta nu(1/2) = 113 Hz) and two narrow resonances at 1.89 ppm and 1.69 ppm (delta nu(1/2) = 5 Hz). The magnetism and NMR spectra showed that [(eta-C5Me5)Mo](4)O-7 existed in two forms which were in equilibrium in solution. One form was paramagnetic (S = 1), with the Mo4O7 core having the geometry 3, and the other was diamagnetic (S = 0), with the Mo4O7 core having the geometry 4.},
	keywords = {CARBONYL-COMPLEXES, CHARGE-TRANSFER SALTS, CLUSTER, CRYSTAL-STRUCTURES, CYCLOPENTADIENYL, ELECTRONIC-STRUCTURE, MOLECULAR-STRUCTURE, MOLYBDENUM, OXIDATION, OXIDE, OXO, OXYGEN, paramagnetism, X-RAY},
	isbn = {0008-4042},
	url = {<Go to ISI>://000086043200009},
	author = {Bottomley, F. and Sanchez, V. and Thompson, R. C. and Womiloju, O. O. and Xu, Z. Q.}
}
@article {4326,
	title = {Density functional study of spin state in CpM(NO)X-2 (M=Mo, Cr; X=Cl, NH2, CH3): Spectrochemical and nephelauxetic effects in organometallic compounds},
	journal = {Organometallics},
	volume = {17},
	number = {4},
	year = {1998},
	note = {ISI Document Delivery No.: YY508Times Cited: 19Cited Reference Count: 83},
	month = {Feb},
	pages = {615-622},
	type = {Article},
	abstract = {The relationship between spin state and metal-ligand bonding interactions in CpM(NO)Xa species was investigated using density functional computational techniques. The geometries of CpM(NO)Cl-2 (M = Cr, Mo), CpCr(NO)(NH2)X, and CpCr(NO)(CH3)X (X = Cl, CH3) were optimized at the DFT-B3LYP level for both the diamagnetic (S = 0) and paramagnetic (S = 1) electronic configurations. While the geometric parameters of the singlet compounds matched well with structures determined experimentally, the Cr-NO bond lengths in the triplet Species exceeded the experimentally observed range by a significant margin, thereby indicating a propensity for nitrosyl-ligand dissociation from the high-spin complexes. The order of relative singlet vs triplet spin-state stability (expressed as Delta Es-t (kcal/mol)) was determined to be CpCr(NO)Cl-2 (8.20) > CpCr(NO)(CH3)Cl (1.52) approximate to CpCr(NO)(NH2)Cl (0.95), > CpCr(NO)(CH3)(2) (-2.37) > CpCr(NO)(NH2)CH3 (-9.55) > CpMQ(NO)Cl-2 (-17.62). The amide pi-donation increases the HOMO-LUMO energy splitting, thus favoring the diamagnetic configuration. The alkyl ligand reduces the electron-electron repulsion through orbital expansion, thereby lowering the relative energy of the singlet state. Extended Huckel molecular-orbital calculations were performed on the DFT-optimized structures to help rationalize the metal-ligand bonding interactions, and interelectron repulsions were quantified by evaluation of the Coulomb (S) and exchange (K) integrals based on the B3LYP-optimized triplet spin-state geometries.},
	keywords = {DINITROGEN CLEAVAGE, EFFECTIVE CORE POTENTIALS, GROUP-6 COMPLEXES, LIGANDS, MOLECULAR CALCULATIONS, NITROSYL CHEMISTRY, OLEFIN POLYMERIZATION, PI-ACCEPTOR, POLYMERIZATION CATALYSTS, TRANSITION-METAL COMPLEXES, X-RAY},
	isbn = {0276-7333},
	url = {<Go to ISI>://000072154500023},
	author = {Legzdins,Peter and McNeil, W. S. and Smith, K. M. and Poli, R.}
}
@article {4387,
	title = {The reactivity of five-coordinate Ru(II)(1,4-bis(diphenylphosphino)butane) complexes with the N-donor ligands: ammonia, pyridine, 4-substituted pyridines, 2,2{\textquoteright}-bipyridine, bis(o-pyridyl)amine, 1,10-phenanthroline, 4,7-diphenylphenanthroline and ethylene},
	journal = {Inorganica Chimica Acta},
	volume = {267},
	number = {2},
	year = {1998},
	note = {ISI Document Delivery No.: YK955Times Cited: 48Cited Reference Count: 47},
	month = {Jan},
	pages = {209-221},
	type = {Article},
	abstract = {{A series of Ru(II) (1,4-bis(diphenylphosphino)butane) (L)(2) complexes was synthesized from [RuCl2(dppb)](2)(mu-dppb) or RuCl2(dppb)-(PPh3); dppb=Ph2P(CH2)(4)PPh2},
	keywords = {1, 4-BIS(DIPHENYLPHOSPHINO)BUTANE, amine-phosphine complexes, crystal structures, CRYSTAL-STRUCTURE, HYDROGENATION, IMINE, PHOSPHINE COMPLEXES, RUTHENIUM(II), RUTHENIUM(II) COMPLEXES, SOLID-STATE, X-RAY},
	isbn = {0020-1693},
	url = {<Go to ISI>://A1998YK95500005},
	author = {Queiroz, S. L. and Batista, A. A. and Oliva, G. and Gambardella, Mtdp and Santos, R. H. A. and Macfarlane, K. S. and Rettig, S. J. and James, Brian R.}
}
@article {3949,
	title = {Synthesis and characterization of the mixed valence Cu(I)/Cu(II) 3,5-bis(trifluoromethyl)-pyrazolate complex, [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {75},
	number = {5},
	year = {1997},
	note = {ISI Document Delivery No.: XF492Times Cited: 18Cited Reference Count: 17},
	month = {May},
	pages = {491-498},
	type = {Article},
	abstract = {{The reaction of molten 3,5-bis(trifluoromethyl)pyrazole (F(6)dmpzH) with copper metal shot under an atmosphere of dioxygen yields the green trimetallic mixed valence [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]. Crystals of [Cu(II)(2)Cu(I)F(6)dmpz)(5)] are triclinic},
	keywords = {3, 5-bis(trifluoromethyl)pyrazolates, ANTIFERROMAGNETISM, copper, COPPER(II) COMPLEX, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, RAY CRYSTAL-STRUCTURE, STRUCTURE, trimetallic, X-RAY},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1997XF49200003},
	author = {Ehlert, M. K. and Storr, A. and Summers, D. A. and Thompson, R. C.}
}
@article {3949,
	title = {Synthesis and characterization of the mixed valence Cu(I)/Cu(II) 3,5-bis(trifluoromethyl)-pyrazolate complex, [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {75},
	number = {5},
	year = {1997},
	note = {ISI Document Delivery No.: XF492Times Cited: 18Cited Reference Count: 17},
	month = {May},
	pages = {491-498},
	type = {Article},
	abstract = {{The reaction of molten 3,5-bis(trifluoromethyl)pyrazole (F(6)dmpzH) with copper metal shot under an atmosphere of dioxygen yields the green trimetallic mixed valence [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]. Crystals of [Cu(II)(2)Cu(I)F(6)dmpz)(5)] are triclinic},
	keywords = {3, 5-bis(trifluoromethyl)pyrazolates, ANTIFERROMAGNETISM, copper, COPPER(II) COMPLEX, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, RAY CRYSTAL-STRUCTURE, STRUCTURE, trimetallic, X-RAY},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1997XF49200003},
	author = {Ehlert, M. K. and Storr, A. and Summers, D. A. and Thompson, R. C.}
}
@article {3759,
	title = {Extended chain 2,3-pyrazinedicarboxylase complexes of manganese(II) and cadmium(II); Synthesis and structure and magnetic properties},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {74},
	number = {12},
	year = {1996},
	note = {ISI Document Delivery No.: WG452Times Cited: 26Cited Reference Count: 16},
	month = {Dec},
	pages = {2413-2423},
	type = {Article},
	abstract = {{Manganese and cadmium complexes of singly and doubly deprotonated 2,3-pyrazinedicarboxylic acid (pyzdcH(2)) have been prepared and studied. Crystal data: [H3O](2x)[Mn(pyzdc)(2)](x), 1, monoclinic, C2/(c) (no. 15)},
	keywords = {2, 3-pyrazinedicarboxylates, ANTIFERROMAGNETISM, CADMIUM, CATIONS, EXCHANGE, extended chains, LIGANDS, manganese, structures, X-RAY},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1996WG45200003},
	author = {Mao, L. and Rettig, S. J. and Thompson, W. C. and Trotter, J. and Xia, S. H.}
}
@article {3575,
	title = {COMPLEXES OF TRIVALENT METAL-IONS WITH POTENTIALLY HEPTADENTATE N4O3 SCHIFF-BASE AND AMINE PHENOL LIGANDS OF VARYING RIGIDITY},
	journal = {Inorganic Chemistry},
	volume = {34},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: QT603Times Cited: 67Cited Reference Count: 47},
	month = {Apr},
	pages = {2164-2178},
	type = {Article},
	abstract = {{The synthesis and characterization of several potentially heptadentate N4O3 Schiff bases and amine phenols, as well as a series of their mononuclear and dinuclear complexes with indium and the lanthanides are reported. Schiff bases containing imidazolidine rings were the products of the known condensation reaction of triethylenetetramine with 3 equiv of 5-substituted salicylaldehydes to form H(3)api (5-H-substituent), H(3)Clapi (5-Cl-substituent), or H(3)Brapi (5-Br-substituent); KBH4 reduction of these Schiff bases gave the appropriate isomeric N4O3 amine phenols H-3(1,2,4-btt) and H-3(1,1,4,-btt), as well as an acetone adduct, H-3(1,2,4-ahi). The Schiff bases reacted with 1 equiv of a lanthanide (Ln(3+)) nitrate to produce mononuclear nine-coordinated [Ln(H(3)Xapi)-(NO3)(3)] complex wherein the ligand adopts a tridentate capping coordination mode, whereas the amine phenols formed mononuclear seven-coordinate complexes with the lanthanides and indium; homodinuclear complexes [LnL]2 were also obtained with the Schiff bases. The X-ray structures of the Schiff bases H(3)api and H(3)Clapi, the mononuclear amine phenol complexes Yb(1,2,4-btt) . 0.5CH(3)OH and In(1,1,4-btt), and the homodinuclear Schiff base complex [La(Brapi)](2) . 2CHCl(3) have been determined. Crystals of H(3)api (C27H30N4O3) are monoclinic, space group P2(1)/a},
	keywords = {BRIDGES, CRYSTAL, ETHER, LANTHANIDE COMPLEXES, MOLECULAR-STRUCTURE, SALTS, TETRAHYDRATE, WATER, X-RAY},
	isbn = {0020-1669},
	url = {<Go to ISI>://A1995QT60300032},
	author = {Yang, L. W. and Liu, S. and Wong, E. and Rettig, S. J. and Orvig, Chris}
}
@article {3452,
	title = {STRUCTURAL STUDIES ON DIMETHYLTIN(IV) CARBOXYLATES},
	journal = {Zeitschrift Fur Anorganische Und Allgemeine Chemie},
	volume = {621},
	number = {11},
	year = {1995},
	note = {ISI Document Delivery No.: TC950Times Cited: 6Cited Reference Count: 23},
	month = {Nov},
	pages = {1875-1882},
	type = {Article},
	abstract = {{In order to correlate Sn-119 Mossbauer parameters and structural data for dimethyltin(IV) derivatives, the molecular structures of bis(acetato)dimethyltin(IV) and bis(trifluoroace tato)dimethyltin(IV) were determined by single crystal X-ray diffration. Crystals of Me(2)Sn(OOCCH3)(2) are monoclinic},
	keywords = {ACIDS, BIS(ACETATO)DIMETHYLTIN(IV), BIS(TRIFLUOROACETATO)DIMETHYLTIN(IV), C-13 NMR, crystal structure, ME2SN(OAC)2, SALTS, X-RAY},
	isbn = {0044-2313},
	url = {<Go to ISI>://A1995TC95000008},
	author = {Mistry, F. and Rettig, S. J. and Trotter, J. and Aubke, F.}
}
@article {3452,
	title = {STRUCTURAL STUDIES ON DIMETHYLTIN(IV) CARBOXYLATES},
	journal = {Zeitschrift Fur Anorganische Und Allgemeine Chemie},
	volume = {621},
	number = {11},
	year = {1995},
	note = {ISI Document Delivery No.: TC950Times Cited: 6Cited Reference Count: 23},
	month = {Nov},
	pages = {1875-1882},
	type = {Article},
	abstract = {{In order to correlate Sn-119 Mossbauer parameters and structural data for dimethyltin(IV) derivatives, the molecular structures of bis(acetato)dimethyltin(IV) and bis(trifluoroace tato)dimethyltin(IV) were determined by single crystal X-ray diffration. Crystals of Me(2)Sn(OOCCH3)(2) are monoclinic},
	keywords = {ACIDS, BIS(ACETATO)DIMETHYLTIN(IV), BIS(TRIFLUOROACETATO)DIMETHYLTIN(IV), C-13 NMR, crystal structure, ME2SN(OAC)2, SALTS, X-RAY},
	isbn = {0044-2313},
	url = {<Go to ISI>://A1995TC95000008},
	author = {Mistry, F. and Rettig, S. J. and Trotter, J. and Aubke, F.}
}
@article {2801,
	title = {END-ON VERSUS SIDE-ON BONDING OF DINITROGEN TO DINUCLEAR EARLY TRANSITION-METAL COMPLEXES},
	journal = {Journal of the American Chemical Society},
	volume = {115},
	number = {7},
	year = {1993},
	note = {ISI Document Delivery No.: KW980Times Cited: 72Cited Reference Count: 55},
	month = {Apr},
	pages = {2782-2792},
	type = {Article},
	abstract = {{The preparation of a series of dinuclear complexes of zirconium and tantalum is presented in an effort to determine factors involved in the coordination mode of the bridging dinitrogen ligand. Reduction of ZrCl3[N(SiMe2-CH2PR2)2] (R = Pr(i) and B(t)) with Na/Hg under N2 generate the corresponding dinitrogen complexes {[(R2PCH2-SiMe2)2 SiMe2)2N]ZrCl}2(mu-eta2:eta2-N2); the X-ray crystal structure of the dark blue derivative having R = Pr(i) shows that the dinitrogen unit is bridging in a planar side-on bonding mode. The N-N bond distance is 1.548(7) angstrom, which is the longest such distance for any dinitrogen complex reported. Molecular orbital calculations on this molecule indicate that the N2 unit bonds in a side-on fashion due to the unavailability of one of the d orbitals on each zirconium that would normally be involved in a pi-bond with the antibonding pi*-orbitals of the N2 moiety. This particular zirconium d orbital is unavailable due to the ancillary tridentate ligand which positions the amide donor (and the chloride) to overlap effectively with this d orbital. The results of this MO study also show that the HOMO has delta-symmetry. When the related derivative Zr(eta5-C5H5)Cl2[N(SiMe2CH2PPri2)2] is reduced under N2, the corresponding dinuclear derivative {[(Pri2PCH2SiMe2)2N]Zr(eta5-C5H5)}2(mu-eta1:eta1-N2) has the bridging dinitrogen unit end-on. In this case, the MO analysis shows that the cyclopentadienyl ligand overlaps with that zirconium d orbital which could form the delta-molecular orbital of the side-on mode; as a result, the end-on form is generated. A similar argument can be used to rationalize the end-on binding mode of the dinitrogen unit in the related tantalum derivatives {[(Pri2PCH2SiMe2)2N]Ta=CHR}2(mu-eta1:eta1-N2) (R = Bu(t), Ph), since now the alkylidene unit effectively overlaps with the same d orbital Crystals of {[(Pri2PCH2-SiMe2)2N]ZrCl}(mu-eta2:eta2-N2)-CH3C6H5 are monoclinic},
	keywords = {ACTIVATION, CARBON BONDS, CHEMISTRY, MOLECULAR-STRUCTURE, N-2 LIGAND, NITROGEN-FIXATION, PHOSPHINE COMPLEXES, RAY CRYSTAL-STRUCTURE, TANTALUM COMPLEXES, X-RAY},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1993KW98000028},
	author = {Fryzuk,Michael D. and Haddad, T. S. and Mylvaganam, M. and McConville, D. H. and Rettig, S. J.}
}
@article {2787,
	title = {STUDY OF TRANSITION-STATE METHODS IN THE CALCULATION OF VERTICAL IONIZATION-POTENTIALS BY LOCAL-DENSITY APPROXIMATION},
	journal = {Organic Mass Spectrometry},
	volume = {28},
	number = {4},
	year = {1993},
	note = {ISI Document Delivery No.: LB163Times Cited: 37Cited Reference Count: 56},
	month = {Apr},
	pages = {321-326},
	type = {Article},
	abstract = {The vertical ionization potentials of nine small molecules were computed by the deMon density functional program and different versions of the transition-state method and the results were compared with earlier calculations and with experiment. The average absolute deviation of the 38 computed ionization potentials of the valence electrons of nine small molecules from experiment is 0.4 eV, which compares well with previous ab initio post-Hartree-Fock and semi-empirical HAM/3 calculations. The efficient methods were then used to calculate 68 ionization potentials of sixteen 22-electron molecules, with results of similar quality.},
	keywords = {KOOPMANS THEOREM, MOLECULES, PERTURBATION CORRECTIONS, PHOTOELECTRON-SPECTRA, SPECTROSCOPY, X-RAY},
	isbn = {0030-493X},
	url = {<Go to ISI>://A1993LB16300008},
	author = {Duffy, P. and Chong, D. P.}
}
@article {2912,
	title = {X-RAY PHOTOELECTRON SPECTROSCOPIC ANALYSIS OF CCA-TREATED WOOD},
	journal = {Holzforschung},
	volume = {47},
	number = {6},
	year = {1993},
	note = {ISI Document Delivery No.: ML941Times Cited: 17Cited Reference Count: 25},
	pages = {458-464},
	type = {Article},
	abstract = {Ponderosa pine and Douglas-fir wood sections were treated with CCA preservative. To elucidate the mechanism of fixation of the CCA, the wood surface was analyzed by X-ray photoelectron spectroscopy (XPS). CCA treatment increased C1 (carbon bonded to carbon and/or hydrogen) and decreased C2 (carbon bonded to one oxygen) in XPS C1s spectra, in both unextracted and pre-extracted sections. This suggested oxidation of hydroxyl groups on cellulose and/or lignin by CCA occurred, followed by the decarboxylation of carbonyl and carboxyl groups. However, the large changes in the state of the carbon atoms recorded during CCA treatment of unextracted wood would appear to include combined effects of the migration of extractives to analyzed surfaces as well as the oxidation of hydroxyl groups in wood by CCA. Accelerating the fixation produced more C1 than fixation at ambient temperatures. This increase in C1 also correlated with a higher resistance to preservative leaching in wood in which the CCA was fixed under accelerating conditions. Surface concentrations of the CCA components determined by XPS were lower in wood in which the fixation was accelerated, and this may contribute to their lower water repellency. CCA treatment enhanced the water repellency of wood, especially in the presence of extractives.},
	keywords = {CCA PRESERVATIVES, CHROMATED COPPER ARSENATE, ESCA ANALYSIS, FIXATION, LEACHING, LIGNIN, photoelectron spectroscopy, PINUS-PONDEROSA, PSEUDOTSUGA-MENZIESII, SURFACES, WATER REPELLENCY, X-RAY, XPS},
	isbn = {0018-3830},
	url = {<Go to ISI>://A1993ML94100002},
	author = {Ruddick, J. N. R. and Yamamoto, K. and Wong, P. C. and Mitchell, K. A. R.}
}
@article {7209,
	title = {THERMOLYSIS OF RU3(CO)10[FE(ETA-C5H4PPRI2)2] - STRUCTURE OF RU3(CO)8(MU-H)2[ETA-PC5H4)FE(ETA-C5H4PPRI2)] AND RU3(CO)8(MU-H)(MU-OH)[MU-FE(ETA-C5H4PPRI2)2]},
	journal = {Organometallics},
	volume = {11},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: HE298Times Cited: 21Cited Reference Count: 30},
	month = {Feb},
	pages = {853-858},
	type = {Article},
	abstract = {{Heating Ru3(CO)10(Fc{\textquoteright}(PPr(i)2)2) (Fc{\textquoteright} = Fe(eta-C5H4)2) in refluxing cyclohexane affords three products in moderate yields. The complex Ru3(CO)8(mu-H)2[(eta-PC5H4)Fe(eta-C5H4PPr(i)2)] (7) was characterized by X-ray diffraction. It crystallizes in the triclinic system, space group P1BAR, with a = 11.782 (4) angstrom},
	keywords = {BENZYNE COMPLEXES, CLUSTER CHEMISTRY, COORDINATION, MOLECULAR-STRUCTURE, OSMIUM, RAY CRYSTAL-STRUCTURE, SURFACE, X-RAY},
	isbn = {0276-7333},
	url = {<Go to ISI>://A1992HE29800052},
	author = {Cullen, W. R. and Rettig, S. J. and Zheng, T. C.}
}
