@article {1089,
	title = {Pure rotational spectra of LuF and LuCl},
	journal = {Physical Chemistry Chemical Physics},
	volume = {7},
	number = {13},
	year = {2005},
	note = {ISI Document Delivery No.: 938CUTimes Cited: 8Cited Reference Count: 56},
	pages = {2570-2578},
	type = {Article},
	abstract = {The pure rotational spectra of two isotopic species of LuF and three of LuCl have been measured in the frequency range 5-17 GHz using a cavity pulsed jet Fourier transform microwave spectrometer. The samples were prepared by laser ablation of Lu metal in the presence of SF6 or Cl-2, and stabilized in supersonic jets of Ar. Spectra of molecules in states having v = 0, 1, and 2 have been measured, to produce rotational constants and centrifugal distortion constants, along with hyperfine constants for all the nuclei. Dunham-type. fits for LuCl produced a Born-Oppenheimer breakdown parameter for Cl. Although a theoretical calculation showed that Lu in LuCl should have a significant field shift effect parameter, it could not be determined from the spectrum. Equilibrium internuclear distances, re, and dissociation energies have been evaluated for both molecules. The nuclear quadrupole coupling constants are discussed in terms of the molecular electronic structure.},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, FIELD SHIFT, HYPERFINE CONSTANTS, ISOTOPE DEPENDENCE, METAL-POOR, NEUTRON-CAPTURE ELEMENTS, NUCLEAR-CHARGE RADII, TRANSFORM MICROWAVE SPECTROSCOPY},
	isbn = {1463-9076},
	url = {<Go to ISI>://000229978300005},
	author = {Cooke, S. A. and Krumrey, C. and Gerry, M. C. L.}
}
@article {825,
	title = {The calculation of field shift effects in the rotational spectra of heavy metal-containing diatomic molecules using density functional theory: comparison with experiment for the Tl-halides and Pb-chalcogenides},
	journal = {Chemical Physics},
	volume = {298},
	number = {1-3},
	year = {2004},
	note = {ISI Document Delivery No.: 778AHTimes Cited: 11Cited Reference Count: 68},
	month = {Mar},
	pages = {205-212},
	type = {Article},
	abstract = {The electron densities at the Tl nucleus in T1X (where X = F, Cl, Br and I) and at the Pb nucleus in PbY (where Y = O, S, Se, Te) have been calculated using density functional theory. From these quantities the molecular field shift parameter, V-01(i) (i = Pb or Tl), in each diatomic molecule may be derived. The results show a good comparison with experimental data. In the course of this work various other spectroscopic constants have been calculated for these two classes of compounds and in so doing the performance of several model Hamiltonians and basis sets has been evaluated. Using the method developed here, field shift effects in a small number of other heavy metal-containing diatomic molecules have been evaluated and a tentative explanation for the trends observed is given. (C) 2003 Elsevier B.V. All rights reserved.},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, CORRECT ASYMPTOTIC-BEHAVIOR, CORRELATION-ENERGY, DUNHAM COEFFICIENTS, EXCHANGE-CORRELATION FUNCTIONALS, GENERALIZED GRADIENT APPROXIMATION, HYPERFINE CONSTANTS, ISOTOPE DEPENDENCE, ORDER, REGULAR APPROXIMATION, STATES},
	isbn = {0301-0104},
	url = {<Go to ISI>://000189216600022},
	author = {Cooke, S. A. and Gerry, M. C. L. and Chong, D. P.}
}
@article {826,
	title = {Microwave spectra, nuclear field shift effects, geometries and hyperfine constants of bismuth mononitride, BiN, and bismuth monophosphide, BiP},
	journal = {Journal of Molecular Structure},
	volume = {695},
	year = {2004},
	note = {ISI Document Delivery No.: 827SVTimes Cited: 11Cited Reference Count: 66Sp. Iss. SI},
	month = {Jun},
	pages = {13-22},
	type = {Article},
	abstract = {The diatomic molecules BiN and BiP have been prepared using a laser ablation technique and studied by Fourier transform microwave spectroscopy in the frequency range 7-22 GHz. For BiN, only the J = 1-0 transition fell within this range. Transitions for the ground and first excited vibrational states have been observed for both (BiN)-N-14 and (BiN)-N-15. For BiP, which has only one isotopomer, the transitions J{\textquoteright}-J" = 1-0. 2-1 and 3-2 have been observed, but only for the ground vibrational state. Hyperfine structure has been observed for both nuclei in both molecules the Bi-209 nuclear quadrupole coupling constants show that the electronic structures are similar for the two molecules. Improved bond lengths have been obtained for both molecules. Density functional methods have been used to estimate the electron density at the bismuth nucleus in each molecule and hence allow an estimate of the uncertainty due to field shift effects in the experimentally derived bond lengths. (C) 2003 Elsevier B.V. All rights reserved.},
	keywords = {BII, BiN, BiP, BORN-OPPENHEIMER APPROXIMATION, Born-Oppenheimer breakdown, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, HIGH-RESOLUTION, HYPERFINE, IODIDE, ISOTOPE DEPENDENCE, microwave spectra, MOMENTS, nuclear field shift effects, QUADRUPOLE, ROTATIONAL SPECTRUM, STRUCTURE},
	isbn = {0022-2860},
	url = {<Go to ISI>://000221922000003},
	author = {Cooke, S. A. and Michaud, J. M. and Gerry, M. C. L.}
}
@article {824,
	title = {The rotational spectrum, nuclear field shift effects, Pt-195 nuclear spin-rotation constant, and electric dipole moment of PtSi},
	journal = {Journal of Molecular Spectroscopy},
	volume = {223},
	number = {2},
	year = {2004},
	note = {ISI Document Delivery No.: 771HGTimes Cited: 11Cited Reference Count: 52},
	month = {Feb},
	pages = {185-194},
	type = {Article},
	abstract = {The pure rotational spectrum of the X(1)Sigma(+) ground electronic state of platinum monosilicide has been measured for nine isotopomers. For the most abundant isotopomer, (PtSi)-Pt-194-Si-28, the J = 1-0 and the J = 2-1 transitions were recorded up to the fourth vibrationally excited state. The data set obtained enabled a multi-isotopomer fit to a Dunham-type expression and the constants Y-01, Y-02, Y-11, Y-21, and Y-31 were determined. In the process of fitting the data it was necessary to include Born-Oppenheimer breakdown correction terms and the values and significance of these terms are discussed. Strong evidence is presented indicating within the rotational spectrum the presence of field shift effects due to the finite size of the Pt nucleus. The nuclear spin-rotation constant, C-I(Pt-195) is found to be 30.98(157)kHz in the ground vibrational state. Hyperfine structure arising from the Si-29 nucleus was not observed. The measurement of Stark shifts in the rotational spectrum of PtSi has enabled the determination of the dipole moments for the (PtSi)-Pt-194-Si-28 and (PtSi)-Pt-196-Si-28 isotopomers. Published by Elsevier Inc.},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, CHARGE RADII, DEPENDENCE, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, EXCHANGE, HYPERFINE CONSTANTS, ISOTOPE, STATES, TRANSFORM MICROWAVE SPECTROSCOPY, WAVE SPECTRA},
	isbn = {0022-2852},
	url = {<Go to ISI>://000188779100010},
	author = {Cooke, S. A. and Gerry, M. C. L. and Brugh, D. J. and Suenram, R. D.}
}
@article {355,
	title = {The pure rotational spectrum, geometry and hyperfine constants of hafnium monosulfide, HfS},
	journal = {Journal of Molecular Spectroscopy},
	volume = {216},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 622VATimes Cited: 12Cited Reference Count: 47},
	month = {Nov},
	pages = {122-130},
	type = {Article},
	abstract = {{The pure rotational spectra of seven isotopomers of hafnium monosulfide have been measured for several vibrational states. For the most abundant isotopomer, (HfS)-Hf-180-S-32, the J = 1 - 0},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, DIATOMIC-MOLECULES, DIPOLE-MOMENTS, DUNHAM COEFFICIENTS, EMISSION-SPECTRUM, FOURIER-TRANSFORM SPECTROSCOPY, HIGH-RESOLUTION, ISOTOPE DEPENDENCE, MICROWAVE SPECTROSCOPY, STATES},
	isbn = {0022-2852},
	url = {<Go to ISI>://000179666700015},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {4471,
	title = {Rotational spectra and hyperfine constants of ZrO and ZrS},
	journal = {Journal of Chemical Physics},
	volume = {110},
	number = {22},
	year = {1999},
	note = {ISI Document Delivery No.: 199FFTimes Cited: 32Cited Reference Count: 49},
	month = {Jun},
	pages = {10715-10724},
	type = {Article},
	abstract = {The pure rotational spectra of ZrO and ZrS have been recorded using cavity Fourier transform microwave spectroscopy in the frequency range 9-26 GHz. The molecules were generated by laser ablation of a solid Zr rod in the presence of 0.05\% of O-2 or H2S, respectively, in either argon or neon. Rotational spectra of five previously unobserved isotopomers of ZrO in the X(1)Sigma(+) state have been measured. Spectra for all five (ZrS)-S-32 isotopomers and for the (ZrS)-Zr-90-S-34 isotopomer in natural abundance have also been measured; this is the first report of pure rotational transitions for ZrS. Transitions in several excited vibrational states were also measured for the most abundant isotopomers of both species. Atomic mass-dependent Born-Oppenheimer breakdown correction terms were determined by fitting the data obtained for each molecule to a Dunham-like expression. Values for the equilibrium bond lengths of the two species were also calculated from the results of these fits. For both the (ZrS)-Zr-91-S-32 and (ZrO)-Zr-91-O-16 isotopomers, nuclear hyperfine structure due to the zirconium nucleus was observed and values for eQ(q0) (Zr-91) and C-I (Zr-91) have been determined. A rotational transition in the low lying a (3)Delta state of ZrS has also been observed. (C) 1999 American Institute of Physics. [S0021-9606(99)00121-X].},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, COEFFICIENTS, DEPENDENCE, DIATOMIC-MOLECULES, DIPOLE-MOMENTS, DUNHAM, FOURIER-TRANSFORM SPECTROSCOPY, ISOTOPE, LOW-TEMPERATURE, METAL-OXIDES, REFRACTORY MOLECULES, ZIRCONIUM OXIDE},
	isbn = {0021-9606},
	url = {<Go to ISI>://000080469200010},
	author = {Beaton, S. A. and Gerry, M. C. L.}
}
