@article {1386,
	title = {Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory},
	journal = {Journal of Computational Chemistry},
	volume = {27},
	number = {2},
	year = {2006},
	note = {ISI Document Delivery No.: 999IGTimes Cited: 3Cited Reference Count: 52},
	month = {Jan},
	pages = {163-173},
	type = {Article},
	abstract = {Spectroscopic constants of the ground and next seven low-lying excited states of diatomic molecules CO, N-2, P-2, and ScF were computed using the density functional theory SAOP/ATZP model, in conjunction with time-dependent density functional theory (TD-DFT) and a recently developed Slater type basis set, ATZP. Spectroscopic constants, including the equilibrium distances r(e), harmonic vibrational frequency omega(e), vibrational anharmonicity omega(e)x(e), rotational constant B-e, centrifugal distortion constant D-e, the vibration-rotation interaction constant alpha(e), and the vibrational zero-point energy E-n(0), were generated in an effort to establish a reliable database for electron spectroscopy. By comparison with experimental values and a similar model with an established larger Slater-type basis set, et-QZ3P-xD, it was found that this model provides reliably accurate results at reduced computational costs, for both the ground and excited states of the molecules. The over all errors of all eight lowest lying electronic states of the molecules under study using the effective basis set are r(e)(+/- 4\%), omega(e)(+/- 5\% mostly without exceeding +/- 20\%), omega(e)x(e)(+/- 5\% mostly without exceeding 20\%, much more accurate than a previous study on this constant of +/- 30\%), B-e(+/- 8\%), D-e(+/- 10\%), alpha(e)(+/- 10\%), and E-n(0)(+/- 10\%). The accuracy obtained using the ATZP basis set is very competitive to the larger et-QZ3P-xD basis set in particular in the ground electronic states. The overall errors in r(e), omega(e)x(e) and alpha(e) in the ground states were given by +/- 0.7, +/- 10.1, and +/- 8.4\%, respectively, using the efficient ATZP basis set, which is competitive to the errors of +/- 0.5, +/- 9.2, and +/- 9.1\%, respectively for those constants using the larger et-QZ3P-xD basis set. The latter basis set, however, needs approximately four times of the CPU time on the National Supercomputing Facilities (Australia). Due to the efficiency of the model (TD-DFT, SAOP and ATZP), it will be readily applied to study larger molecular systems. (c) 2005 Wiley Periodicals, Inc.},
	keywords = {Density Function Theroy, diatomic molecules, DIPOLE-MOMENT, ELECTRONIC-STRUCTURE, emission, EXCITATION-ENERGIES, excited, FREQUENCIES, GAUSSIAN-BASIS SETS, ground state, INDUCED POLARIZATION FUNCTIONS, ORBITALS, POTENTIALS, SPECTRA, spectroscopic constants, STATES, SURFACES},
	isbn = {0192-8651},
	url = {<Go to ISI>://000234382400005},
	author = {Falzon, C. T. and Chong, D. P. and Wang, F.}
}
@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 {933,
	title = {Dinitrogen coordination chemistry: On the biomimetic borderlands},
	journal = {Chemical Reviews},
	volume = {104},
	number = {2},
	year = {2004},
	note = {ISI Document Delivery No.: 773QMTimes Cited: 189Cited Reference Count: 177},
	month = {Feb},
	pages = {385-401},
	type = {Review},
	keywords = {BRIDGING N-2 UNIT, DIPORPHYRIN, ELECTRONIC-STRUCTURE, END-ON, IRON-MOLYBDENUM COFACTOR, NITROGENASE FEMO-COFACTOR, RAY CRYSTAL-STRUCTURES, REDUCTIVE CLEAVAGE, RUTHENIUM COFACIAL, TRANSITION-METAL-COMPLEXES, VANADIUM DIAMIDOAMINE COMPLEX},
	isbn = {0009-2665},
	url = {<Go to ISI>://000188934400003},
	author = {MacKay, B. A. and Fryzuk,Michael D.}
}
@article {960,
	title = {Poly[(2,2 {\textquoteright}-bipyridine)tetrakis(imidazolato)diiron(II)]: Structural and spin-state phase transitions and low-temperature magnetic ordering in a unique 2-dimensional material},
	journal = {Inorganic Chemistry},
	volume = {43},
	number = {7},
	year = {2004},
	note = {ISI Document Delivery No.: 808QLTimes Cited: 9Cited Reference Count: 31},
	month = {Apr},
	pages = {2330-2339},
	type = {Article},
	abstract = {Poly[(2,2{\textquoteright}-bipyridine)tetrakis(imidazolato)diiron(II)] was synthesized by the reaction of ferrocene with imidazole in an excess of 2,2{\textquoteright}- bipyridine in a Carius tube at 130degreesC. Dc magnetic susceptibility studies at an applied field of 1000 G reveal that on cooling from room temperature, the material undergoes two structural phase transitions designated alpha {\textendash}> beta, and beta {\textendash}> gamma at 151 and 133 K, respectively. On warming, the gamma {\textendash}> beta and beta {\textendash}> alpha transitions are observed at 137 and 151 K, respectively; a 4 K thermal hysteresis clearly detectable in the lower temperature beta <{\textendash}{\textendash}> gamma transition. These structural phase transitions have also been studied by detailed, variable-temperature, ac susceptibility and Mossbauer spectroscopy techniques. Single-crystal X-ray diffraction studies done at 294, 143, and 113 K reveal 2, 12, and 6 unique iron centers in the alpha-, beta-, and gamma-forms, respectively. All three forms have the same basic structure involving 2D extended double layer sheets (bilayers) of alternating tetrahedral and octahedral irons singly bridged by imidazolate ligands, with the octahedral centers additionally coordinated by 2,2{\textquoteright}-bipyridine ligands that occupy positions between the sheets. Magnetic susceptibility and bond length data reveal that in the gamma-phase one in three six-coordinate sites corresponds to spin singlet ground-state iron(II); i.e., the overall alpha {\textendash}> gamma process involves a spin-crossover transition such that at least 1/6 of the iron sites in the gamma-phase correspond to S = 0. This is supported by the low-temperature Mossbauer spectra of the gamma-phase, which reveal the simultaneous presence of both S = 2 and S = 0 iron(II) centers. The compound magnetically orders, with a resultant small remnant magnetization, at low temperatures. The magnetic phase transition, studied by a combination of dc and ac susceptibility and Mossbauer techniques, occurs at T-c similar to 6.5 K.},
	keywords = {CHEMISTRY, COMPLEXES, CROSSOVER, CRYSTAL-STRUCTURE, ELECTRONIC-STRUCTURE, IRON(II), PYRAZOLATE},
	isbn = {0020-1669},
	url = {<Go to ISI>://000220583500020},
	author = {Patrick, B. O. and Reiff, W. M. and Sanchez, V. and Storr, A. and Thompson, R. C.}
}
@article {960,
	title = {Poly[(2,2 {\textquoteright}-bipyridine)tetrakis(imidazolato)diiron(II)]: Structural and spin-state phase transitions and low-temperature magnetic ordering in a unique 2-dimensional material},
	journal = {Inorganic Chemistry},
	volume = {43},
	number = {7},
	year = {2004},
	note = {ISI Document Delivery No.: 808QLTimes Cited: 9Cited Reference Count: 31},
	month = {Apr},
	pages = {2330-2339},
	type = {Article},
	abstract = {Poly[(2,2{\textquoteright}-bipyridine)tetrakis(imidazolato)diiron(II)] was synthesized by the reaction of ferrocene with imidazole in an excess of 2,2{\textquoteright}- bipyridine in a Carius tube at 130degreesC. Dc magnetic susceptibility studies at an applied field of 1000 G reveal that on cooling from room temperature, the material undergoes two structural phase transitions designated alpha {\textendash}> beta, and beta {\textendash}> gamma at 151 and 133 K, respectively. On warming, the gamma {\textendash}> beta and beta {\textendash}> alpha transitions are observed at 137 and 151 K, respectively; a 4 K thermal hysteresis clearly detectable in the lower temperature beta <{\textendash}{\textendash}> gamma transition. These structural phase transitions have also been studied by detailed, variable-temperature, ac susceptibility and Mossbauer spectroscopy techniques. Single-crystal X-ray diffraction studies done at 294, 143, and 113 K reveal 2, 12, and 6 unique iron centers in the alpha-, beta-, and gamma-forms, respectively. All three forms have the same basic structure involving 2D extended double layer sheets (bilayers) of alternating tetrahedral and octahedral irons singly bridged by imidazolate ligands, with the octahedral centers additionally coordinated by 2,2{\textquoteright}-bipyridine ligands that occupy positions between the sheets. Magnetic susceptibility and bond length data reveal that in the gamma-phase one in three six-coordinate sites corresponds to spin singlet ground-state iron(II); i.e., the overall alpha {\textendash}> gamma process involves a spin-crossover transition such that at least 1/6 of the iron sites in the gamma-phase correspond to S = 0. This is supported by the low-temperature Mossbauer spectra of the gamma-phase, which reveal the simultaneous presence of both S = 2 and S = 0 iron(II) centers. The compound magnetically orders, with a resultant small remnant magnetization, at low temperatures. The magnetic phase transition, studied by a combination of dc and ac susceptibility and Mossbauer techniques, occurs at T-c similar to 6.5 K.},
	keywords = {CHEMISTRY, COMPLEXES, CROSSOVER, CRYSTAL-STRUCTURE, ELECTRONIC-STRUCTURE, IRON(II), PYRAZOLATE},
	isbn = {0020-1669},
	url = {<Go to ISI>://000220583500020},
	author = {Patrick, B. O. and Reiff, W. M. and Sanchez, V. and Storr, A. and Thompson, R. C.}
}
@article {725,
	title = {The pure rotational spectra of the lanthanum monohalides, LaF, LaCl, LaBr, LaI},
	journal = {Journal of Molecular Spectroscopy},
	volume = {218},
	number = {2},
	year = {2003},
	note = {ISI Document Delivery No.: 673YVTimes Cited: 13Cited Reference Count: 51},
	month = {Apr},
	pages = {169-179},
	type = {Article},
	abstract = {Pure rotational spectra have been measured for all the major isotopomers of the lanthanum monohalides, LaF, LaCl, LaBr, and LaI, in their ground and (except for (LaBr)-Br-81) excited vibrational states. The spectra were observed with a cavity pulsed jet Fourier transform microwave spectrometer in the frequency range 5-24 GHz. The molecules were prepared by laser ablation of La metal and allowing the resulting plasma to react with SF6, Cl-2, Br-2, or CH3I precursor in an Ar carrier gas of the pulsed jet. For LaBr this is the first reported spectrum of any kind. Rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, and nuclear spin-rotation constants have been determined for all the molecules. Accurate equilibrium (r(e)) internuclear distances have given an indication of where the Born-Oppenheimer approximation is beginning to fail. From the centrifugal distortion constants and vibration-rotation (alpha(e)) constants good estimates of the harmonic vibration frequencies and bond dissociation energies have been obtained. The halogen nuclear quadrupole coupling constants indicate the molecules to be highly ionic. (C) 2003 Elsevier Science (USA). All rights reserved.},
	keywords = {CONSTANTS, DOUBLE-RESONANCE, ELECTRONIC-STRUCTURE, HYPERFINE-STRUCTURE, laser spectroscopy, MOLECULAR-BEAM, MONOIODIDE, NUCLEAR-QUADRUPOLE MOMENT, RF, STATES, TRANSFORM MICROWAVE SPECTROSCOPY},
	isbn = {0022-2852},
	url = {<Go to ISI>://000182609600003},
	author = {Rubinoff, D. S. and Evans, C. J. and Gerry, M. C. L.}
}
@article {511,
	title = {Rotational analysis of the (A)over-tilde(2)A(1)-(X)over-tilde(2)A(1) band system of yttrium dicarbide,YC2},
	journal = {Journal of Molecular Spectroscopy},
	volume = {215},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 601LETimes Cited: 5Cited Reference Count: 40},
	month = {Sep},
	pages = {10-28},
	type = {Article},
	abstract = {{The 000-000 and 3(0)(1) bands of the 775-nm electronic transition of YC2 (A(2)A(1) <{\textendash}X-2 A(1)) have been studied at high resolution, using the laser-induced fluorescence from a supersonic jet expansion. Three types of experiment have been carried out. First, the complete rotational and hyperfine structures of the two bands were recorded. To Measure the small asymmetry splittings in the K = 2 levels of the X(2)A(1), state, portions of the b-type 3(0)(1) and were then recorded in the presence of a weak static electric field. Finally, a number of pure rotational transitions between the K = 0 levels of the ground state were recorded by pump/probe microwave optical double resonance. A few small rotational perturbations occur in the upper electronic state but omitting the perturbed lines, the combined data sets could be modeled using an effective Hamiltonian operator appropriate for the rotation, electron spin, and hyperfine structure of a rigid asymmetric top molecule, The molecule is confirmed as being "T-shaped." where the Y atom is bonded to the side of a C-2 group: the rotational Constants determined are for the A(2)A(1), 3(1) level},
	keywords = {ACTIVATION, C-H BOND, DOUBLE-RESONANCE, ELECTRONIC-STRUCTURE, HYPERFINE-STRUCTURE, MICROWAVE, MONOSULFIDE, SPECTROSCOPY, SPIN-ROTATION, TRANSITION-METAL ATOMS, YC2},
	isbn = {0022-2852},
	url = {<Go to ISI>://000178446800002},
	author = {Steimle, T. C. and Bousquet, R. R. and Namiki, K. C. and Merer, A. J.}
}
@article {4866,
	title = {The hyperfine structures of ScCl and ScF},
	journal = {Journal of Molecular Spectroscopy},
	volume = {199},
	number = {2},
	year = {2000},
	note = {ISI Document Delivery No.: 278NYTimes Cited: 20Cited Reference Count: 48},
	month = {Feb},
	pages = {275-283},
	type = {Article},
	abstract = {The Fourier transform microwave spectra of gaseous ScF and ScCl have been measured in their (1)Sigma(+) ground electronic states. Transitions have been observed for ScF (J = 1-0) and for both (SCCl)-Cl-35 and (SCCl)-Cl-37 (J = 1-0 and J = 2-1) in the ground vibrational state, and for (SCCl)-Cl-35 (J = 1-0 and J = 2-1) in the first excited vibrational state. The nuclear quadrupole coupling constants of Sc and of both isotopes of Cl, the spin-rotation constants for all the nuclei and the nuclear spin-nuclear spin constants for both molecules, have been determined. From these hyperfine constants, the electronic structures of ScF and ScCl have been investigated and comparisons have been made to similar molecules. ScCl has been found to be highly ionic. For (ScCl)-Cl-35, the equilibrium bond length has been reevaluated and the vibration frequency and dissociation energy have been estimated. A simple approach to account for the Sc quadrupole coupling constants has been shown to be flawed. (C) 2000 Academic Press.},
	keywords = {DIPOLE-MOMENTS, ELECTRONIC-STRUCTURE, GAUSSIAN-BASIS SETS, LASER-ABLATION, MOLECULAR CALCULATIONS, ROW ATOMS, SCANDIUM MONOCHLORIDE, SINGLET-STATES, SPECTROSCOPY, SPIN INTERACTIONS},
	isbn = {0022-2852},
	url = {<Go to ISI>://000084996900015},
	author = {Lin, W. and Beaton, S. A. and Evans, C. J. and Gerry, M. C. L.}
}
@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 {3313,
	title = {ANALYSIS OF VALENCE XPS OF (CH2-CHR)(N) (R=H, CH3, OH AND F), (CH2-CH2-NH)(N) AND (CH2-CH2-O)(N) POLYMERS BY THE SEMIEMPIRICAL HAM/3 MO METHOD USING THE N-MER (N=2, 3, 4, 5) MODEL},
	journal = {Journal of Physics and Chemistry of Solids},
	volume = {56},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: RF331Times Cited: 26Cited Reference Count: 50},
	month = {Aug},
	pages = {1131-1140},
	type = {Article},
	abstract = {The valence X-ray photoelectron spectra (XPS) of six representative polymers [CH2-CHR)(n) (R = H, CH3, OH, F), (CH2-CH2-NH)(n), and (CH2-CH2-O)(n)] were analysed by a semi empirical HAM/3 MO method using model molecules [H-(CH2-CHR)(n)-H, (R = H, CH3, OH, F), H2N-(CH2-CH2-NH)(n)-H, and HO-(CH2-CH2-O)(n)-H] with n = 2 to 5. The calculated AlK alpha photo electron spectra were obtained using Gaussian functions of an approximate linewidth (0.10I(k)); I-k = I{\textquoteright}(k) - WD, where I{\textquoteright}(k); is the vertical ionization potential (VIP) of each MO and WD is a shift to account for sample work function, polarization energy and other effects. To explain the broader linewidth for the inner valence spectra, we propose that the lifetime of the 2s hole states are shorter because the holes can be filled by 2p electrons in ultra-violet emission or radiationless transition. The theoretical spectra showed good agreement with the observed spectra of the polymers between 0-40 eV. The present results suggest that the spectra can be analysed by the calculations for model trimers.},
	keywords = {BAND, CLUSTER-EXPANSION, Electronic Structure, ELECTRONIC-STRUCTURE, ENERGY-LEVELS, ESCA, IONIZATION, photoelectron spectroscopy, POLYETHYLENE, POLYMERS, POLYOXYMETHYLENE, RAY PHOTOELECTRON-SPECTROSCOPY, SPECTRA, WAVEFUNCTION},
	isbn = {0022-3697},
	url = {<Go to ISI>://A1995RF33100017},
	author = {Endo, K. and Kaneda, Y. and Aida, M. and Chong, D. P.}
}
@article {3312,
	title = {SIMULATION OF THE VALENCE X-RAY PHOTOELECTRON-SPECTRA OF 16 POLYMERS BY THE SEMIEMPIRICAL HAM/3 MO METHOD USING THE MODEL MOLECULES},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {68},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QP061Times Cited: 17Cited Reference Count: 40},
	month = {Feb},
	pages = {528-538},
	type = {Article},
	abstract = {The HAM/3 method was used to provide a better assignment of the valence X-ray photoelectron spectra of 16 polymers involving nitrogen, oxygen, fluorine, a glucose unit, and a benzene nucleus using the monomer, dimer or trimer model molecules without consideration of the contraction factor of the energy scale. The calculated A1 K alpha photoelectron spectra were obtained using Gaussian functions of a fixed approximate linewidth, 0.10 I-k and I-k=I-k{\textquoteright}-WD, where I-K{\textquoteright} is the vertical ionization potential of each MO and WD is an approximate shift to account for the work function of the sample and other energy (polarization energy and so on) effects. We assumed that WD corresponds to the shift that we must apply before we can compare the calculated spectrum for the single model molecule with the observed spectrum for the solid. The approximate linewidth corresponds to the experimental result that the inner valence spectra are broader. The theoretical spectra showed good agreement with the spectra of the polymers observed between 0-40 eV.},
	keywords = {CO2, CORE, ELECTRONIC-STRUCTURE, ENERGY-LEVELS, ESCA, HAM-3, N2O, POLYOXYMETHYLENE, SPECTROSCOPY, XPS SPECTRA},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1995QP06100014},
	author = {Endo, K. and Inoue, C. and Kaneda, Y. and Aida, M. and Kobayashi, N. and Chong, D. P.}
}
@article {3005,
	title = {CHARACTERIZATION AND NONRIGID BEHAVIOR OF A CARBOXYLATE-BRIDGED RHODIUM DIMER},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {72},
	number = {5},
	year = {1994},
	note = {ISI Document Delivery No.: NU280Times Cited: 0Cited Reference Count: 47},
	month = {May},
	pages = {1294-1301},
	type = {Article},
	abstract = {{Bis(mu-t-butylacetato)bis(norbornadiene)dirhodium(I) 1 is prepared by a reaction between pivaloyl camphor and (norbornadiene)rhodium(I) chloride dimer. A molecular rearrangement takes place in which the pivaloyl groups of the pivaloyl camphor starting material are incorporated into the end product as bridging t-butylcarboxylate ligands. A variable temperature H-1 NMR study and corresponding dynamic computer fit of the NMR data, and crystal structure are reported for the structurally nonrigid dimer. Crystals of 1 are triclinic},
	keywords = {BINUCLEAR DIRHODIUM COMPOUNDS, CATALYSTS, COMPLEXES, CRYSTAL, ELECTRONIC-STRUCTURE, LIGANDS, MOLECULAR-STRUCTURE, ORTHO-METALATION REACTIONS, phosphines, RH-RH BOND},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1994NU28000012},
	author = {Cullen, W. R. and Rettig, S. J. and Wickenheiser, E. B.}
}
@article {7375,
	title = {REANALYSIS AND EXTENSION OF THE MNH A7-PI-X7-SIGMA+ (0, 0) BAND - FINE-STRUCTURE AND HYPERFINE-INDUCED ROTATIONAL BRANCHES},
	journal = {Journal of Molecular Spectroscopy},
	volume = {156},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: JY986Times Cited: 19Cited Reference Count: 52},
	month = {Dec},
	pages = {296-318},
	type = {Article},
	keywords = {ABINITIO, ELECTRONIC-STRUCTURE, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, LASER, MOLECULES, PARAMETERS, PHOTOELECTRON-SPECTROSCOPY, SIGMA-7, SYSTEMS, TRANSITION-METAL HYDRIDES},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1992JY98600004},
	author = {Varberg, T. D. and Gray, J. A. and Field, R. W. and Merer, A. J.}
}
