@article {2482,
	title = {Fourier transform microwave spectrum of and Born-Oppenheimer breakdown effects in tungsten monoxide, WO},
	journal = {Canadian Journal of Physics},
	volume = {87},
	number = {5},
	year = {2009},
	note = {ISI Document Delivery No.: 494RVTimes Cited: 0Cited Reference Count: 33Krumrey, Christine Cooke, Stephen A. Russell, Douglas K. Gerry, Michael C. L.},
	month = {May},
	pages = {567-573},
	type = {Article},
	abstract = {Rotational transitions of eight isotopomers of tungsten monoxide, WO, in its X0(+) ground electronic state, have been measured in the frequency range 22-26 GHz, using a cavity Fourier transform microwave spectrometer. The samples were prepared by laser ablation of W metal in the presence of O-2 and stabilized in pulsed supersonic jets of Ne or Ar. Only the J = 1-0 transition was accessible within the frequency range of the spectrometer. It was measured for the ground (nu = 0) and two excited (nu = 1, 2) vibrational states. Hyperfine structure due to W-183 nuclear spin-rotation coupling was found for (WO)-W-183. The overall spectral fit used a Dunham-type expression including Born-Oppenheimer breakdown parameters. Only the nu = 0 and 1 states could be fit to the measurement accuracy because of a small perturbation of the nu = 2 state. It was necessary to account for the finite nuclear size of the W nucleus in the fit. The resulting parameter V-01(W) agreed well with a value calculated using density functional theory. Equilibrium internuclear distances re have been evaluated.},
	keywords = {COUPLING CASE C, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, ENERGY, FIELD SHIFT, INFRARED-SPECTRA, ISOTOPE DEPENDENCE, PB-CHALCOGENIDES, ROTATIONAL SPECTRUM, TL-HALIDES},
	isbn = {0008-4204},
	url = {<Go to ISI>://000269834000014},
	author = {Krumrey, C. and Cooke, S. A. and Russell, D. K. and Gerry, M. C. L.}
}
@article {1087,
	title = {Born-Oppenheimer breakdown effects and hyperfine structure in the rotational spectra of SbF and SbCl},
	journal = {Journal of Molecular Spectroscopy},
	volume = {234},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 997WETimes Cited: 7Cited Reference Count: 53},
	month = {Dec},
	pages = {195-203},
	type = {Article},
	abstract = {Pure rotational spectra have been measured for the ground electronic states of SbF and SbCl. The molecules were prepared by laser ablation of Sb metal in the presence of SF6 or Cl-2 respectively. Their spectra were measured with a cavity pulsed jet Fourier transform microwave spectrometer. Although both molecules have two unpaired electrons, they are subject to Hund{\textquoteright}s coupling case (c), and have X(1)0(+) ground states. The spectra have been interpreted with the formalism of (1)Sigma(+) molecules. For both molecules spectra of several isotopomers have been measured in the ground and first excited vibrational states. Large hyperfine splittings attributable to both nuclear quadrupole coupling and nuclear spin-rotation coupling have been observed. A Dunham-type analysis has produced unusually large Born-Oppenheimer breakdown parameters, which are interpreted in terms of the electronic structures of the molecules. (c) 2005 Elsevier Inc. All rights reserved.},
	keywords = {antimony monochloride, antimony monofluoride, BISMUTH IODIDE BII, Born-Oppenheimer, breakdown, COUPLING CASE C, DEPENDENCE, DUNHAM COEFFICIENTS, Fourier transform microwave spectroscopy, GROUND-STATE, hyperfine structure, ISOTOPE, laser ablation, MASS DEPENDENCE, MICROWAVE-SPECTRUM, pulsed jets, VII DIATOMIC-MOLECULES, VISIBLE BANDS},
	isbn = {0022-2852},
	url = {<Go to ISI>://000234278700001},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {1088,
	title = {The influence of nuclear volume and electronic structure on the rotational energy of platinum monoxide, PtO},
	journal = {Physical Chemistry Chemical Physics},
	volume = {7},
	number = {12},
	year = {2005},
	note = {ISI Document Delivery No.: 942UOTimes Cited: 11Cited Reference Count: 56},
	month = {Jun},
	pages = {2453-2459},
	type = {Article},
	abstract = {The pure rotational spectra of seven isotopic species of platinum monoxide have been measured with a cavity pulsed jet Fourier-transform microwave spectrometer. The molecules were prepared by laser ablation of Pt foil in the presence of O-2 and stabilized in a supersonic jet of argon. A multi-isotopomer Dunham-type analysis of the spectra produced values for Y-01 and Y-11, along with unusually large values for Born-Oppenheimer breakdown (BOB) parameters for both Pt and O atoms. The values of the BOB parameters have been rationalized in terms of the molecular electronic structure and finite nuclear size (field shift) effects. A large negative Pt-195 effective nuclear spin-rotation constant has been rationalized in terms of the electron-nucleus dipole dipole hyperfine constant. Precise internuclear separations have been evaluated.},
	keywords = {COUPLING CASE C, DIATOMIC-MOLECULES, DIPOLE MOMENT, DUNHAM COEFFICIENTS, EMISSION-SPECTRUM, FIELD SHIFT, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, HYPERFINE CONSTANTS, PB-CHALCOGENIDES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000230308600007},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@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 {822,
	title = {Internuclear distance and effects of Born-Oppenheimer breakdown for PtS, determined from its pure rotational spectrum},
	journal = {Journal of Chemical Physics},
	volume = {121},
	number = {8},
	year = {2004},
	note = {ISI Document Delivery No.: 845HYTimes Cited: 13Cited Reference Count: 55},
	month = {Aug},
	pages = {3486-3494},
	type = {Article},
	abstract = {Platinum monosulfide PtS has been prepared in its X0(+) ground electronic state by laser ablation of Pt in the presence of H2S. The rotational spectra of eight isotopic species have been measured with a cavity pulsed jet Fourier-transform microwave spectrometer. Spectral analysis using a multi-isotopomer Dunham-type expression produced values for Y-01, Y-02, Y-11, and Y-21, along with large values for Born-Oppenheimer breakdown (BOB) parameters for both atoms of the molecule. The BOB parameters are rationalized in terms of the molecular electronic structure and nuclear field shift effects. A large negative Pt-195 nuclear spin-rotation constant has been rationalized in terms of the electron-nucleus dipole-dipole hyperfine constant. The equilibrium bond length in the Born-Oppenheimer approximation has been evaluated. (C) 2004 American Institute of Physics.},
	keywords = {BISMUTH IODIDE BII, COUPLING CASE C, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, ELECTRIC-DIPOLE MOMENT, EMISSION-SPECTROSCOPY, FIELD SHIFT, FOURIER-TRANSFORM SPECTROSCOPY, HYPERFINE CONSTANTS, NUCLEAR-CHARGE, RADII},
	isbn = {0021-9606},
	url = {<Go to ISI>://000223234200017},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@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 {821,
	title = {The pure rotational spectra and hyperfine constants of SbN and SbP},
	journal = {Physical Chemistry Chemical Physics},
	volume = {6},
	number = {19},
	year = {2004},
	note = {ISI Document Delivery No.: 858PQTimes Cited: 14Cited Reference Count: 54},
	pages = {4579-4585},
	type = {Article},
	abstract = {The pure rotational spectra of antimony mononitride, SbN, and antimony monophosphide, SbP, have been recorded within the frequency range 6-26 GHz, using a cavity pulsed jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of Sb and reaction of the resulting plasma with suitable precursors in the backing gas of the jet. For SbN the J = 1-0 transition was measured for the vibrational ground state of four isotopomers, two of which were also seen in the v = 1 excited state. For SbP the J = 1-0 and 2-1 transitions have been observed for two isotopomers in the ground plus v = 1 and v = 2 excited vibrational states. Accurate spectroscopic constants, including Born-Oppenheimer breakdown terms for Sb and N, have been obtained from the spectra. Precise equilibrium bond lengths r(e) have been determined. Hyper. ne constants including nuclear quadrupole coupling constants and nuclear spin-rotation constants have been evaluated for both molecules, and are compared with the results of density functional calculations.},
	keywords = {APPROXIMATION, DENSITY-FUNCTIONAL THEORY, DEPENDENCE, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, FIELD SHIFT, ISOTOPE, NMR CHEMICAL-SHIFTS, NUCLEAR MAGNETIC SHIELDINGS, ORDER REGULAR, QUADRUPOLE-MOMENT, SPIN-ROTATION},
	isbn = {1463-9076},
	url = {<Go to ISI>://000224204600010},
	author = {Cooke, S. A. 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 {3572,
	title = {ROTATIONAL SPECTRA OF THE MIXED RARE-GAS DIMERS NE-KR AND AR-KR},
	journal = {Journal of Chemical Physics},
	volume = {103},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: RP715Times Cited: 29Cited Reference Count: 40},
	month = {Aug},
	pages = {2827-2833},
	type = {Article},
	abstract = {Pure rotational spectra of several isotopomeric species of the rare gas dimers Ne-Kr and Ar-Kr have been measured using a pulsed jet cavity microwave Fourier transform spectrometer. Equilibrium internuclear distances have been evaluated by taking advantage of the isotopic data, for both these dimers and three Xe-containing dimers, whose spectra were reported earlier [Jager et al., J. Chem. Phys. 99, 919(1993)]. The dipole moments have been estimated using the {\textquoteright}{\textquoteright}pi/2-pulse{\textquoteright}{\textquoteright} excitation condition. Kr-83 nuclear quadrupole hyperfine structure has been observed in some rotational transitions of Ne-20-Kr-83 and of Ar-Kr-83, and the corresponding quadrupole coupling constants have been derived. (C) 1995 American Institute of Physics.},
	keywords = {CONSTANTS, DEPENDENCE, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, EXCITED-STATES, FABRY-PEROT CAVITY, ISOTOPE, POTENTIALS, TRANSFORM MICROWAVE SPECTROSCOPY, ULTRAVIOLET-LASER SPECTROSCOPY, XE},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995RP71500006},
	author = {Xu, Y. J. and Jager, W. and Djauhari, J. and Gerry, M. C. L.}
}
