@article {1008,
	title = {Microwave spectra and structures of KrAuF, KrAgF, and KrAgBr; Kr-83 nuclear quadrupole coupling and the nature of noble gas-noble metal halide bonding},
	journal = {Journal of the American Chemical Society},
	volume = {126},
	number = {4},
	year = {2004},
	note = {ISI Document Delivery No.: 768GATimes Cited: 42Cited Reference Count: 76},
	month = {Feb},
	pages = {1235-1246},
	type = {Article},
	abstract = {Microwave spectra of the complexes KrAuF and KrAgBr have been measured for the first time using a cavity pulsed jet Fourier transform microwave spectrometer. The samples were prepared by laser ablation of the metal from its solid and allowing the resulting plasma to react with an appropriate precursor (Kr, plus SF6 or Br-2) contained in the backing gas of the jet (usually At). Rotational constants; geometries; centrifugal distortion constants; vibration frequencies; and Au-197, Br-79, and Br-81 nuclear quadrupole coupling constants have all been evaluated. The complexes are unusually rigid and have short Kr-Au and Kr-Ag bonds. The Au-197 nuclear quadrupole coupling constant differs radically from its value in an AuF monomer. In addition Kr-83 hyperfine structure has been measured for KrAuF and the previously reported complex KrAgF. The geometry of the latter has been reevaluated. Large values for the Kr-83 nuclear quadrupole coupling constants have been found for both complexes. Both the Au-197 and Kr-83 hyperfine constants indicate a large reorganization of the electron distribution on complex formation. A thorough assessment of the nature of the noble gas-noble metal bonding in these and related complexes (NgMX; Ng is a noble gas, M is a noble metal, and X is a halogen) has been carried out. The bond lengths are compared with sums of standard atomic and ionic radii. Ab initio calculations have produced dissociation energies along with Mulliken populations and other data on the electron distributions in the complexes. The origins of the rigidity, dissociation energies, and nuclear quadrupole coupling constants are considered. It is concluded that there is strong evidence for weak noble gas-noble metal chemical bonding in the complexes.},
	keywords = {CHEMICAL-BONDS, DIPOLE MOMENT, ELECTRIC-RESONANCE METHOD, GROUND-STATE, HYPERFINE CONSTANTS, MILLIMETER-WAVE, MOLECULAR-CONSTANTS, PURE ROTATIONAL, SPECTRA, SUBMILLIMETER-WAVE SPECTRA, VANDERWAALS COMPLEX},
	isbn = {0002-7863},
	url = {<Go to ISI>://000188534200055},
	author = {Thomas, J. M. and Walker, N. R. and Cooke, S. A. and Gerry, M. C. L.}
}
@article {943,
	title = {Rotational spectra, structures, hyperfine constants, and the nature of the bonding of KrCuF and KrCuCl},
	journal = {Inorganic Chemistry},
	volume = {43},
	number = {13},
	year = {2004},
	note = {ISI Document Delivery No.: 831AQTimes Cited: 32Cited Reference Count: 76},
	month = {Jun},
	pages = {3871-3881},
	type = {Article},
	abstract = {Rotational spectra of KrCuF and KrCuCl have been measured in the frequency range 8-18 GHz, using a pulsed jet cavity Fourier transform microwave spectrometer. The molecules were prepared by ablating Cu metal with a pulsed Nd:YAG laser (1064 nm) and allowing the plasma to react with appropriate precursors (Kr plus SF6 or Cl-2) contained in the backing gas of the jet (Ar or Kr). Rotational constants, internuclear distances, vibration frequencies, and 83 Kr, Cu, and Cl nuclear quadrupole coupling constants have all been evaluated, The Kr-Cu bonds are short and the complexes are rigid. The Kr-83 coupling constant of KrCuF is large (128.8 MHz). The Cu nuclear quadrupole coupling constants differ radically from those of uncomplexed CuF and CuCl molecules. The results are supported by those of ab initio calculations, which have also yielded Mulliken populations, MOLDEN plots of valence molecular orbitals and Laplace concentrations, and electron localization functions. The results are consistent with those reported earlier for other noble gas-noble metal halide complexes. The results have been used to assess the nature of the bonding in the complexes and have produced good evidence for weak noble gas-noble metal chemical bonding.},
	keywords = {CHEMICAL-BONDS, DIPOLE MOMENTS, ELECTRIC-RESONANCE METHOD, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS, MICROWAVE-SPECTRA, MOLECULAR CALCULATIONS, NUCLEAR-QUADRUPOLE MOMENTS, SETS, SUBMILLIMETER-WAVE SPECTRA, VANDERWAALS COMPLEX},
	isbn = {0020-1669},
	url = {<Go to ISI>://000222165700023},
	author = {Michaud, J. M. and Cooke, S. A. and Gerry, M. C. L.}
}
