@article {ISI:000251974000023,
	title = {An electronic rationale for observed initiation rates in ruthenium-mediated olefin metathesis: charge donation in phosphine and N-heterocyclic carbene ligands.},
	journal = {J. Am. Chem. Soc.},
	volume = {129},
	number = {51},
	year = {2007},
	month = {dec},
	pages = {15774{\textendash}6},
	chapter = {15774},
	abstract = {Ru K-edge XAS data indicate that second generation ruthenium-based olefin metathesis precatalysts (L = N-heterocyclic carbene) possess a more electron-deficient metal center than in the corresponding first generation species (L = tricyclohexylphosphine). This surprising effect is also observed from DFT calculations and provides a simple rationale for the slow phosphine dissociation kinetics previously noted for second-generation metathesis precatalysts.},
	keywords = {ALKENES, Alkenes: chemistry, BOND, carbenes, CATALYSTS, CL, DFT, ELECTRONS, Heterocyclic Compounds, Heterocyclic Compounds: chemistry, HYDROCARBONS, Hydrocarbons: chemistry, KINETICS, LIGANDS, MECHANISM, METHANE, Methane: analogs \& derivatives, Methane: chemistry, MOIETY, NHC LIGANDS, OLEFIN METATHESIS, phosphines, Phosphines: chemistry, RAY-ABSORPTION SPECTROSCOPY, ruthenium, Ruthenium: chemistry, TRANSITION-METAL-COMPLEXES, XAS},
	isbn = {0002-7863},
	issn = {1520-5126},
	doi = {10.1021/ja0747674},
	url = {<Go to ISI>://000251974000023 http://www.ncbi.nlm.nih.gov/pubmed/18047332},
	author = {Getty, Kendra and Delgado-Jaime, Mario Ulises and Kennepohl, Pierre}
}
@article {823,
	title = {Insights into the xenon-silver halide interaction from a rotational spectroscopic study of XeAgF and XeAgCl},
	journal = {Physical Chemistry Chemical Physics},
	volume = {6},
	number = {13},
	year = {2004},
	note = {ISI Document Delivery No.: 842YUTimes Cited: 25Cited Reference Count: 55},
	month = {Jul},
	pages = {3248-3256},
	type = {Article},
	abstract = {XeAgF and XeAgCl have been prepared by laser ablation of Ag metal in the presence of xenon and SF6 or xenon and Cl-2, respectively. Rotational spectra for 12 isotoporners of XeAgF and 16 isotopomers of XeAgCl have been recorded. Analysis of the spectra indicates that (i) both chemical systems are unusually strongly bound compared to conventional van der Waals complexes, (ii) significant charge rearrangement occurs at the xenon nucleus upon formation of both XeAgF and XeAgCl as shown by the Xe-131 nuclear quadrupole coupling constants and (iii) in both XeAgF and XeAgCl the Xe-Ag distance is small compared to the sum of the Xe van der Waals radius and the Ag+ ionic radius. An ab initio study of the two species has been performed. The combined experimental and theoretical investigations indicate that the Xe-Ag interaction is not easily described, but that there is some evidence for weak chemical bonding.},
	keywords = {BASIS-SETS, CL, COMPLEXES, GROUND-STATE, HYPERFINE CONSTANTS, KR, LASER-ABLATION, MICROWAVE-SPECTRA, MOLECULAR-STRUCTURES, PSEUDOPOTENTIALS},
	isbn = {1463-9076},
	url = {<Go to ISI>://000223041400007},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {540,
	title = {The microwave spectrum and structure of KrAgF},
	journal = {Journal of Molecular Structure},
	volume = {612},
	number = {2-3},
	year = {2002},
	note = {ISI Document Delivery No.: 573UATimes Cited: 22Cited Reference Count: 27Sp. Iss. SI},
	month = {Jul},
	pages = {109-116},
	type = {Article},
	abstract = {The microwave spectrum of KrAgF has been assigned between 8-18 GHz, using a cavity pulsed-jet Fourier transform microwave spectrometer. The structure of the molecule has been calculated from the measured rotational constants of four isotopomers. Values for the Kr-Ag and Ag-F bond lengths of similar to2.594 and similar to1.957 Angstrom respectively have been determined. A small centrifugal distortion constant (similar to0.3 kHz) indicates that the molecule is comparatively rigid. The stretching frequency and dissociation energy of the Kr-Ag bond have been subjected to ab initio calculation at the MP2 level, yieling results of similar to113 cm(-1) and similar to32 kJ mol(-1) respectively. A Mulliken orbital population analysis suggests that the Kr-Ag bond is weakly covalent in nature. All parameters are found to be consistent with trends established for ArMX and KrMX species. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {ab initio calculation, CL, CONSTANTS, CORRELATED MOLECULAR CALCULATIONS, GAUSSIAN-BASIS SETS, HYPERFINE, KR, microwave spectrum, STABILITY, structure of KrAgF},
	isbn = {0022-2860},
	url = {<Go to ISI>://000176848500006},
	author = {Walker, N. R. and Reynard, L. M. and Gerry, M. C. L.}
}
@article {539,
	title = {Microwave spectrum, geometry, and hyperfine constants of PdCO},
	journal = {Journal of Physical Chemistry A},
	volume = {106},
	number = {24},
	year = {2002},
	note = {ISI Document Delivery No.: 563BXTimes Cited: 14Cited Reference Count: 48},
	month = {Jun},
	pages = {5803-5808},
	type = {Article},
	abstract = {The pure rotational spectrum of palladium monocarbonyl. PdCO, has been measured between 6000 and 24 000 MHz using a cavity pulsed jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of Pd in the presence of CO contained in an Ar backing gas. The spectra of 15 isotopomers have been used to determine the molecular geometry from the measured rotational constants. Centrifugal distortion constants are in good agreement with those calculated from a literature harmonic force field. A nuclear quadrupole coupling constant and nuclear spin-rotation constant have been determined for Pd-105. Nuclear shielding parameters have been evaluated from the measured spin-rotation constant. The geometry is discussed with reference to theoretical data and to other molecules containing an M-CO bond.},
	keywords = {CL, CLUSTERS, CO, MOLECULAR-STRUCTURE, MONOCARBONYLS, palladium, PURE ROTATIONAL SPECTRUM, SOLID ARGON, {BR},
	isbn = {1089-5639},
	url = {<Go to ISI>://000176235000007},
	author = {Walker, N. R. and Hui, J. K. H. and Gerry, M. C. L.}
}
