@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 {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 {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.}
}
@article {419,
	title = {The E (3)Pi-X (3)Delta transition of jet-cooled TiO observed in absorption},
	journal = {Journal of Molecular Spectroscopy},
	volume = {212},
	number = {2},
	year = {2002},
	note = {ISI Document Delivery No.: 561KZTimes Cited: 7Cited Reference Count: 43},
	month = {Apr},
	pages = {133-141},
	type = {Article},
	abstract = {The (0,0) and (1,0) bands of the E(3)Pi-X (3)Delta transition of TiO in the near-infrared have been recorded by frequency modulated laser absorption spectroscopy in a laser ablation/free jet expansion source. The observed linewidths (FWHM) varied from 300 to 500 MHz according to the expansion conditions and are dominated by residual Doppler broadening in the unskimmed source. Data for the (0,0) band have been obtained for TiO molecules containing all the naturally occurring Ti isotopes but, for the weaker (1,0) band, only for (TiO)-Ti-48. Rotational constants for the two upper state vibrational levels were derived by fitting the data to an effective Hamiltonian; equilibrium parameters have been calculated. The experimental results are compared to the results of ab initio calculations on the E-X system. Ab initio results for the b-a system and for the lowest (3)Sigma(-) state are also presented. They indicate that the D (3)Sigma(-) state is not a very low-lying state. (C) 2002 Elsevier Science (USA).},
	keywords = {0, 0 BAND, DOUBLING PARAMETERS, electronic absorption spectroscopy, ELECTRONIC STATES, ENERGIES, FOURIER-TRANSFORM SPECTROSCOPY, laser spectroscopy, MOLECULES, RESOLUTION, ROTATIONAL ANALYSIS, TITANIUM MONOXIDE, titanium oxide, VO},
	isbn = {0022-2852},
	url = {<Go to ISI>://000176140900001},
	author = {Kobayashi, K. and Hall, G. E. and Muckerman, J. T. and Sears, T. J. and Merer, A. J.}
}
@article {410,
	title = {The electronic spectrum of NiCN in the visible region},
	journal = {Journal of Molecular Spectroscopy},
	volume = {215},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 601LETimes Cited: 18Cited Reference Count: 74},
	month = {Sep},
	pages = {106-127},
	type = {Article},
	abstract = {The electronic spectrum of NiCN in the 500-630 nm region has been observed by laser-induced fluorescence, following the reaction of laser-ablated nickel atoms with cyanogen under free jet expansion conditions. Seven electronic states hake been identified. Three of these, (X) over tilde (1) (2)Delta(5/2), (X) over tilde (2) (2)Delta(3/2), and (W) over tilde (2)(1)Pi(3/2), are derived from the electron configuration Ni+ (3d(8) 4s) CN, and the other four, (A) over tilde (2) Delta(5/2), (B) over tilde (2)Pi(3/2), (C) over tilde (2)Phi(7/2) and (D) over tilde (2)Phi(5/2), are derived from the configuration Ni+ (3d(8) 4s) CN. Rotational analysis of bands of (NiCN)-N-14 and (NiCN)-N-15 at high resolution has given the bond lengths in the (X) over tilde (2)(1)Delta(5/2) ground state as r(0) (Ni-C) = 1.8292 +/- 0.0028 Angstrom; r(0) (C-N) = 1.1591 +/- 0.0029 Angstrom. The orbital angular momentum splits the bending fundamental of the (X) over tilde (2)(1)Delta(5/2) state into two vibronic components, which lie at 243.640 cm(-1) ((2)Pi(3/2)) and 244.964 cm(-1) ((2)Phi(7/2)). Exceptionally strong Fermi resonance occurs in the ground state between the Ni-C stretching vibration, nu(3), and the overtone of the bending vibration. Sixty vibrational levels of the ground state with /l/ = 0 and l have been assigned, They could tie fitted by least squares to a simple matrix representation of the Fermi resonance that ignores the orbital angular momentum the interaction matrix element, as a fraction of the bending frequency, turns out to be larger than that in the "prototype" molecule, CO2. The two low-lying excited electronic states, (X) over tilde (2)Delta(3/2) at 830 cm(-1) and (W) over tilde (2)(1)Pi(3/2) at 2238 cm(-1), have very similar properties to the ground state. The energies of the excited states in the visible region bear a remarkable resemblance to those found in NiH (S, A. Kadavathu et al., 1991, J. Mol. Spectrosc. 147, 448-470). Again, the effects of Fermi resonance in them are large but those of vibronic coupling are surprisingly small. The most significant vibronic coupling occurs between the (A) over tilde (2)Delta(5/2) and (B) over tilde (2)Pi(3/2) states, which are separated by 79 cm(-1), an interval which is less than half the frequency of the bending vibration that couples them large numbers of vibronically induced bands appear in the excitation and dispersed emission spectra, but the splitting between (tie vibronic components of the bending fundamental of the (A) over tilde (2)Delta(5/2) state is only 6.988 cm(-1). Rotational perturbations are widespread in the (A) over tilde (2)Delta(5/2) state, particularly in the levels of the nu(3) (Ni-C stretching) progression, Vibrational assignments have been made on the basis of the Ni-58-Ni-60 isotope shifts at high resolution and the Franck-Condon patterns in dispersed emission spectra, Various weak unassigned bands, both in the excitation and the dispersed emission spectra, give evidence for the existence of at least three more excited electronic states which it has not been possible to characterize in detail. (C) 2002 Elsevier Science (USA)},
	keywords = {ANION PHOTOELECTRON-SPECTROSCOPY, EXCITED-STATES, FOURIER-TRANSFORM SPECTROSCOPY, LASER-INDUCED FLUORESCENCE, LITHIUM ISOCYANIDE, LOW-LYING STATES, MG-BEARING, MICROWAVE, MOLECULE, POTENTIAL-ENERGY SURFACE, ROTATIONAL SPECTRUM, SPECTROSCOPY},
	isbn = {0022-2852},
	url = {<Go to ISI>://000178446800011},
	author = {Kingston, C. T. and Merer, A. J. and Varberg, T. 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 {5173,
	title = {Microwave spectrum, structure, and hyperfine constants of Kr-AgCl: Formation of a weak Kr-Ag covalent bond},
	journal = {Journal of Molecular Spectroscopy},
	volume = {206},
	number = {1},
	year = {2001},
	note = {ISI Document Delivery No.: 428BNTimes Cited: 29Cited Reference Count: 38},
	month = {Mar},
	pages = {33-40},
	type = {Article},
	abstract = {The pure rotational spectrum of the complex Kr-AgCl has been measured between 8-15 GHz using a cavity pulsed-jet Fourier transform microwave spectrometer. The complex was found to be linear and relatively rigid, with a Kr-Ag bond length of similar to2.641 Angstrom. The Kr-Ag stretching frequency was estimated to be 117 cm(-1). Ab initio calculations performed at the MP2 level of theory gave the geometry, vibration frequencies, Kr-Ag bond dissociation energy, and orbital populations. The Kr-Ag bond dissociation energy was estimated to be -28 kJ mol(-1). The Kr-Ag force constant and dissociation energy are greater than those of Ar-Ag in Ar-AgCl. The chlorine nuclear quadrupole coupling constants show slight changes on complex formation. Ab initio orbital population analysis shows a small shift in sigma -electron density from Kr to Ag on complex formation. The combined experimental and ab initio results are consistent with the presence of a weak Kr-Ag covalent bond. (C) 2001 Academic Press},
	keywords = {ATOMS, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, LASER-ABLATION, RAMAN, ROTATIONAL SPECTRUM, STABILITY, TRANSITION-METAL COMPLEXES},
	isbn = {0022-2852},
	url = {<Go to ISI>://000168441400004},
	author = {Reynard, L. M. and Evans, C. J. and Gerry, M. C. L.}
}
@article {4792,
	title = {Noble gas-metal chemical bonding? The microwave spectra, structures, and hyperfine constants of Ar-CuX (X = F, Cl, Br)},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {21},
	year = {2000},
	note = {ISI Document Delivery No.: 315YCTimes Cited: 72Cited Reference Count: 40},
	month = {Jun},
	pages = {9363-9374},
	type = {Article},
	abstract = {The rotational spectra of the complexes Ar-CuF, Ar-CuCl, and Ar-CuBr have been observed in the frequency range 5-22 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-Cu stretching frequency estimated as similar to 200 cm(-1). Isotopic data have been used to calculate an r(0) structure for Ar-CuF, while for Ar-CuCl and Ar-CuBr partial substitution structures have also been obtained. To reduce zero-point vibrational effects a double substitution method (r(d)) has also been employed to calculate the structures of Ar-CuCl and Ar-CuBr. The Ar-Cu distance has been found to be rather short and to range from 2.22 Angstrom in Ar-CuF to 2.30 Angstrom in Ar-CuBr. Ab initio calculations at the MP2 level of theory model the geometries and stretching frequencies well and predict an Ar-Cu bond energy in Ar-CuF of similar to 47.3 kJ mol(-1). Large changes in the Cu nuclear quadrupole coupling constant on complex formation show that extensive charge rearrangement occurs upon formation of the complexes. This, in conjunction with the sizable dissociation energy, suggests that the Ar-Cu bonds in these complexes are weakly covalent. The rotational spectrum of CuF has also been reinvestigated to improve the hyperfine constants. (C) 2000 American Institute of Physics. [S0021-9606(00)00521-3].},
	keywords = {2ND, ARGON VANDERWAALS COMPLEX, ATOMS, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, DER-WAALS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, ROTATIONAL SPECTRUM, STATES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000087139700021},
	author = {Evans, C. J. and Gerry, M. C. L.}
}
@article {4796,
	title = {Noble gas-metal chemical bonding: the microwave spectra, structures and hyperfine constants of Ar-AuF and Ar-AuBr},
	journal = {Physical Chemistry Chemical Physics},
	volume = {2},
	number = {18},
	year = {2000},
	note = {ISI Document Delivery No.: 353RKTimes Cited: 47Cited Reference Count: 33},
	pages = {3943-3948},
	type = {Article},
	abstract = {The rotational spectra of the complexes Ar-AuF and Ar-AuBr have been observed in the frequency range 7-22 GHz using a pulsed-jet cavity Fourier transform microwave spectrometer. Both complexes are linear and rather rigid in the ground vibrational state, with the Ar-Au stretching frequency estimated as similar to 200 cm(-1). Isotopic data have been used to calculate an r(0) structure for Ar-AuBr while for Ar-AuF only an estimation of the r(0) geometry could be made. Ab initio calculations at the MP2 level of theory model the geometries and stretching frequencies well and predict an Ar-Au bond energy in Ar-AuF of similar to 60 kJ mol(-1). The Au nuclear quadrupole coupling constant changes significantly on complex formation, indicating extensive charge arrangement. This in conjunction with the large dissociation energy and ab initio results show that the Ar-Au bonds in these complexes are weakly covalent in nature.},
	keywords = {ARGON, COMPLEXES, CORRELATED MOLECULAR CALCULATIONS, FOURIER-TRANSFORM SPECTROSCOPY, GAUSSIAN-BASIS SETS, NQR, RAMAN, ROTATIONAL SPECTRUM, STATES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000089289100001},
	author = {Evans, C. J. and Rubinoff, D. S. 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.}
}
@article {4791,
	title = {The pure rotational spectra of AuCl and AuBr},
	journal = {Journal of Molecular Spectroscopy},
	volume = {203},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 347WMTimes Cited: 32Cited Reference Count: 50},
	month = {Sep},
	pages = {105-117},
	type = {Article},
	abstract = {The pure rotational spect ra of AuCl and AuBr have been measured in the v = 0 and 1 (also for v = 2 for (AuCl)-Cl-35) vibrational states in the 5-22 GHz spectral region using a cavity pulsed-jet Fourier transform microwave spectrometer. The molecules were prepared by ablating Au metal in the presence of Cl-2 or Br-2 entrained in the Ar or Ne backing gas of the jet. The equilibrium internuclear distances r(e) have been determined along with estimates of the harmonic vibration frequencies and the dissociation energies. The ionic characters of the AuCl and AuBr bonds have been estimated from the halogen nuclear quadrupole-coupling constants to be i(c) similar to 38\%. The gold nuclear quadrupole coupling constants change appreciably from AuF to AuCl to AuBr (including a sign change), indicating substantial differences in their electronic structures at Au; these variations could not be accounted for with a simple Townes-Dailey calculation. (C) 2000 Academic Press.},
	keywords = {ABINITIO, AUF, BASIS-SETS, COUPLED-CLUSTER, ELECTRON-CORRELATION, FOURIER-TRANSFORM SPECTROSCOPY, GOLD CHEMISTRY, GROUND-STATES, HGCL2},
	isbn = {0022-2852},
	url = {<Go to ISI>://000088952200012},
	author = {Evans, C. J. 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.}
}
@article {3236,
	title = {ISOTOPE AND HYPERFINE-STRUCTURE IN THE ORANGE SYSTEM OF FEO - EVIDENCE FOR 2 5-DELTA(I) EXCITED-STATES},
	journal = {Journal of Molecular Spectroscopy},
	volume = {170},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QT231Times Cited: 29Cited Reference Count: 27},
	month = {Apr},
	pages = {449-465},
	type = {Article},
	abstract = {The orange system of FeO has been reinvestigated using low-temperature molecular beam laser-induced fluorescence spectra, obtained by supersonic jet cooling. Two new weak bands have been found, and analyses of some of the previously known bands extended. Measurements of the Fe-54-Fe-56 isotope shifts have been made for most of the bands, and the hyperfine structure of the low-J lines has been recorded for two of the strongest bands of (FeO)-Fe-57. The isotope shifts are consistent with the presence of two (5) Delta(i)-(5) Delta(i) transitions lying within 1000 cm(-1); the origins of the Omega = 4 spin components lie at 5583 and 6110 Angstrom, respectively. The hyperfine patterns and the spin-orbit structure indicate that the upper state electron configurations are (3d delta)(3) (3d pi)(2) (3d sigma)(1), (D5 Delta(i), 5583 Angstrom) and O(2p pi)(3) (4s sigma)(1) (3d delta)(3)(3d pi)(3), (D{\textquoteright}(5) Delta(i), 6110 Angstrom). The bond length in the D{\textquoteright} state (r(0) = 1.654 Angstrom) has been obtained from a deperturbation of the 6110 Angstrom band; it is only 0.035 Angstrom longer than in the ground state, which indicates that electron promotion between the two pi orbitals, nominally O(2p pi) and Fe(3d pi), has only a small effect on the strength of the bonding. The new isotope data still do not clarify the vibrational assignments of the higher levels, which are disorganized by extensive electronic perturbations. (C) 1995 Academic Press, Inc.},
	keywords = {COO, ELECTRONIC STATES, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, MOLECULES, PARAMETERS, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1995QT23100013},
	author = {Barnes, M. and Fraser, M. M. and Hajigeorgiou, P. G. and Merer, A. J.}
}
@article {3368,
	title = {MICROWAVE MILLIMETER-WAVE DOUBLE-RESONANCE EXPERIMENTS ON AR-CO},
	journal = {Journal of Chemical Physics},
	volume = {102},
	number = {9},
	year = {1995},
	note = {ISI Document Delivery No.: QH968Times Cited: 35Cited Reference Count: 27},
	month = {Mar},
	pages = {3587-3592},
	type = {Article},
	keywords = {CARBON-MONOXIDE, FOURIER-TRANSFORM SPECTROSCOPY, PULSED MOLECULAR-BEAM, RADIOFREQUENCY, RANGE, SPECTROMETER},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995QH96800008},
	author = {Jager, W. and Gerry, M. C. L.}
}
@article {2946,
	title = {HYPERFINE-STRUCTURE IN HIGH-SPIN MULTIPLICITY ELECTRONIC STATES - ANALYSIS OF THE B(4)PI-X(4)SIGMA(-) TRANSITION OF GASEOUS NBO},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {9},
	year = {1994},
	note = {ISI Document Delivery No.: NH846Times Cited: 38Cited Reference Count: 57},
	month = {May},
	pages = {6240-6262},
	type = {Article},
	abstract = {The (0,0) band of the B (II)-I-4-X (4) Sigma(-) transition of NbO, near 6600 Angstrom, has been analyzed from spectra taken at sub-Doppler resolution. The transition is notable for the great width of its Nb nuclear hyperfine structure, which is caused principally by the unpaired 5s sigma electron in the ground state interacting with the large magnetic moment of the(41)(93) Nb nucleus (1=9/2). A fit to the ground-state combination differences, including four very precise microwave lines measured by Suenram et al. [J. Mol. Spectrosc. 148, 114 (1991)], has given a comprehensive set of rotational, spin, and hyperfine parameters. Prominent among these are the third-order spin-orbit distortions of the spin-rotation interaction and the Fermi contact interaction, which are large and well. determined, reflecting different degrees of spin-orbit contamination of the the (4) Sigma(1/2) and (4) Sigma(3/2) components of the ground state. The delta(2) pi B (II)-I-4 state was hard to fit, for a number of reasons. First, its spin-orbit structure is asymmetric, because of strong perturbations by a (II)-I-2 state which has been identified in this work, from among the various weak bands in the NbO spectrum near 7000 Angstrom; the result is that many high order centrifugal distortion terms are needed in an effective Hamiltonian model for the rotation. Second, the hyperfine structure is perturbed, not only by this (II)-I-2 state, but by distant Sigma and Delta states at higher energy. The delta(2) sigma* C (4) Sigma(-) State at 21 350 cm(-1) appears to be one of these. The distant states generate large apparent nuclear spin-rotation interactions, both within and between the Lambda components of the II state, as a result of cross terms between matrix elements of the operators -2BJ.L and aI.L. Similar cross terms arising from the operators AL.S and aI.L produce corrections to the Fermi contact matrix elements and are responsible for the unexpected negative sign of the magnetic hyperfine parameter d. The {\textquoteright}{\textquoteright}off-diagonal{\textquoteright}{\textquoteright} quadrupole parameter e(2)Qq(2) is very large, and causes some of the higher J line shapes of the B-X system to be noticeably asymmetric at Doppler limited resolution; its value is consistent with the electron configuration of the B (II)-I-4 state being delta(2) pi.},
	keywords = {EMISSION-SPECTRUM, FOURIER-TRANSFORM SPECTROSCOPY, LASER, LINEAR MOLECULES, ORBIT DISTORTION, PARAMETERS, QUARTET, ROTATIONAL STRUCTURE, SPECTROSCOPY, SYSTEM, VO},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NH84600016},
	author = {Adam, A. G. and Azuma, Y. and Barry, J. A. and Merer, A. J. and Sassenberg, U. and Schroder, J. O. and Cheval, G. and Femenias, J. L.}
}
@article {2987,
	title = {ROTATIONAL STRUCTURE AND PERTURBATIONS IN THE BETA-4-PI-CHI-4-SIGMA- (1, 0) BAND OF VO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {163},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MW279Times Cited: 21Cited Reference Count: 25},
	month = {Feb},
	pages = {443-458},
	type = {Article},
	keywords = {CRO, FOURIER-TRANSFORM SPECTROSCOPY, laser spectroscopy, MOLECULES, PARAMETERS, STATES, SYSTEM, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1994MW27900012},
	author = {Cheung, A. S. C. and Hajigeorgiou, P. G. and Huang, G. and Huang, S. Z. and Merer, A. J.}
}
@article {2713,
	title = {ROTATIONAL ANALYSIS OF THE A{\textquoteright}(5)DELTA-X(5)PI TRANSITION OF CRO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {160},
	number = {1},
	year = {1993},
	note = {ISI Document Delivery No.: LJ188Times Cited: 17Cited Reference Count: 25},
	month = {Jul},
	pages = {289-310},
	type = {Article},
	keywords = {0, 0 BAND, DOUBLING PARAMETERS, ELECTRONIC STATES, FOURIER-TRANSFORM SPECTROSCOPY, HIGHER MULTIPLICITY, METAL OXIDES, MOLECULES, MOO, QUARTET, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1993LJ18800024},
	author = {Barnes, M. and Hajigeorgiou, P. G. and Merer, A. J.}
}
@article {7375,
	title = {REANALYSIS AND EXTENSION OF THE MNH A7-PI-X7-SIGMA+ (0, 0) BAND - FINE-STRUCTURE AND HYPERFINE-INDUCED ROTATIONAL BRANCHES},
	journal = {Journal of Molecular Spectroscopy},
	volume = {156},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: JY986Times Cited: 19Cited Reference Count: 52},
	month = {Dec},
	pages = {296-318},
	type = {Article},
	keywords = {ABINITIO, ELECTRONIC-STRUCTURE, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, LASER, MOLECULES, PARAMETERS, PHOTOELECTRON-SPECTROSCOPY, SIGMA-7, SYSTEMS, TRANSITION-METAL HYDRIDES},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1992JY98600004},
	author = {Varberg, T. D. and Gray, J. A. and Field, R. W. and Merer, A. J.}
}
