@article {4794,
	title = {The microwave spectra and structures of Ar-AgX (X=F,Cl,Br)},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {3},
	year = {2000},
	note = {ISI Document Delivery No.: 271MWTimes Cited: 68Cited Reference Count: 46},
	month = {Jan},
	pages = {1321-1329},
	type = {Article},
	abstract = {The rotational spectra of the complexes Ar-AgF, Ar-AgCl, and Ar-AgBr have been observed in the frequency range 6-20 GHz using a pulsed jet cavity Fourier transform microwave spectrometer. All the complexes are linear and rather rigid in the ground vibrational state, with the Ar-Ag stretching frequency estimated as similar to 140 cm(-1). Isotopic data have been used to calculate an r(0) structure for Ar-AgF, while for Ar-AgCl and Ar-AgBr partial substitution structures have also been obtained. To reduce zero-point vibrational effects a double substitution method (r(d)) was employed to calculate the structures of Ar-AgCl and Ar-AgBr. The Ar-Ag bond distance has been found to be rather short and to range from 2.56 Angstrom in Ar-AgF to 2.64 Angstrom in Ar-AgBr. Ab initio MP2 and density functional theory calculations for Ar-AgF and Ar-AgCl model the geometries and stretching frequency well, and predict an Ar-Ag bond energy in Ar-AgF of similar to 23 kJ mol(-1). These results indicate that the Ar-AgX complexes are more strongly bound than typical van der Waals complexes. Analysis of the halogen nuclear quadrupole coupling constants was unable to confirm whether extensive electron rearrangement occurs upon formation of the complexes. (C) 2000 American Institute of Physics. [S0021-9606(00)02202-9].},
	keywords = {ARGON VANDERWAALS COMPLEX, DER-WAALS COMPLEXES, ELECTRONIC SPECTROSCOPY, INTERATOMIC POTENTIALS, LASER-ABLATION, METAL ATOMS, PHOTODISSOCIATION SPECTROSCOPY, PHOTOIONIZATION, RARE-GAS COMPLEXES, ROTATIONAL SPECTRUM, SPECTROSCOPY},
	isbn = {0021-9606},
	url = {<Go to ISI>://000084598900029},
	author = {Evans, C. J. and Gerry, M. C. L.}
}
@article {4795,
	title = {Noble gas-metal chemical bonds. Microwave spectra, geometries, and nuclear quadrupole coupling constants of Ar-AuCl and Kr-AuCl},
	journal = {Journal of the American Chemical Society},
	volume = {122},
	number = {25},
	year = {2000},
	note = {ISI Document Delivery No.: 332CBTimes Cited: 70Cited Reference Count: 41},
	month = {Jun},
	pages = {6100-6105},
	type = {Article},
	abstract = {The pure rotational spectra of Ar-AuCl and Kr-AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer. Both complexes have been found to be linear and are relatively rigid in their ground vibrational states. The noble gas-gold stretching frequencies have been estimated to be 198 and 161 cm(-1) for Ar-AuCl and Kr-AuCl, respectively. From the isotopic data obtained. ro structures have been calculated for both Ar-AuCl and Kr-AuCl, while a partial substitution (r(s)) structure has been obtained for Kr-AuCl. The Ar-Au distance has been found to be 2.47 Angstrom, while the Kr-Au distance is 2.52 Angstrom. Ab initio calculations have been performed at the MP2 level of theory on both complexes to obtain geometries, vibrational frequencies, and dissociation energies. The dissociation energies for Ar-AuCl and Kr-AuCl have been estimated to be 47 and 71 kJ mol(-1), respectively. The nuclear quadrupole coupling constant of Au has been found to change significantly on complex formation (to -259.8 MHz in Ar-AuCl, and -349.9 MHz in Kr-AuCl) from its value in the monomer unit (+9.6 MHz in AuCl), which is consistent with extensive charge rearrangement on formation of the complexes. This, in conjunction with the sizable dissociation energies, indicates that the Ar-Au and Kr-Au bonds are weakly covalent.},
	keywords = {ARGON, ATOMS, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS COMPLEXES, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, LASER-ABLATION, RAMAN, ROTATIONAL, SPECTRUM, STATES},
	isbn = {0002-7863},
	url = {<Go to ISI>://000088054900021},
	author = {Evans, C. J. and Lesarri, A. and Gerry, M. C. L.}
}
