@article {4555,
	title = {Fourier transform microwave spectrum, geometry, and hyperfine coupling constants of phosphenous fluoride, OPF},
	journal = {Journal of Physical Chemistry A},
	volume = {103},
	number = {5},
	year = {1999},
	note = {ISI Document Delivery No.: 174PBTimes Cited: 6Cited Reference Count: 60},
	month = {Feb},
	pages = {560-567},
	type = {Article},
	abstract = {The microwave spectrum of phosphenous fluoride, OFF, has been measured using a pulsed-jet cavity Fourier transform microwave spectrometer. With the exception of a mass spectroscopic detection of the molecule, chemically prepared for use in a matrix IR study, this is the first observation of free gas-phase OFF. The samples were prepared from mixtures of PF3 and O-2 in Ne carrier gas, using an electric discharge. Rotational transitions of two isotopomers ((OPF)-O-16-P-31-F-19 and (OPF)-O-18-P-31-F-19) have been measured in the 4-26 GHz frequency range. The determined rotational constants have been used to calculate r(0), r(7), and approximate r(e) molecular geometries. In contrast to the nitrogen analogue, ONF, OFF has been found to show no irregularities in its geometry. Small hyperfine splittings due to the spin-1/2 P-31 and F-19 nuclei have been analyzed in terms of nuclear spin-rotation interactions. Because the determined coupling constants were of similar magnitudes and could not be unambiguously assigned, the related nuclear shielding parameters have been derived using both possible assignments. The spin-rotation coupling constants are compared with those calculated using ab initio techniques, and the F-19 nuclear shieldings are compared with those derived for the nitrogen analogue ONF.},
	keywords = {BANDS, CL-35, DIPOLE, FORCE-FIELD, INFRARED-SPECTRA, MATRIX-IR INVESTIGATIONS, MOLECULES, N-14, NITROSYL CHLORIDE, SHIELDING TENSOR},
	isbn = {1089-5639},
	url = {<Go to ISI>://000079042600002},
	author = {Gatehouse, B. and Brupbacher, T. and Gerry, M. C. L.}
}
@article {3230,
	title = {THE N-15-ISOTOPOMERS OF CIS-DIFLUORODIAZINE AND TRANS-DIFLUORODIAZINE - A F-19 NMR INVESTIGATION OF THE 2 [AX](2), SPIN SYSTEMS OF (N2F2)-N-15},
	journal = {Magnetic Resonance in Chemistry},
	volume = {33},
	number = {10},
	year = {1995},
	note = {ISI Document Delivery No.: RY962Times Cited: 3Cited Reference Count: 24},
	month = {Oct},
	pages = {817-822},
	type = {Article},
	abstract = {The decomposition of (N3P)-N-15 at - 20 degrees C leads to cis- and trans-(N2F2)-N-15. The corresponding F-19 NMR spectra were analysed as [AX](2) systems. F-19, N-15 and N-14 NMR spectra were simulated using the novel PC program systems DSYMPCD, DCYMPCD and WIN-DAISY running under WIN-NMR. Stereospecific coupling constants were obtained for both isomers. Comparison of the F-19 NMR spectra from both the [(1/2)A(1/2)X](2) and the[(1)A(1/2)X](2) systems in (N2F2)-N-15 and (N2F2)-N-14 overcomes the inherent ambiguities of the [AX](2) analysis.},
	keywords = {DCYMPCD, DSYMPCD, F-19, N-14, N-15, N2F2, NMR, WIN-DAISY},
	isbn = {0749-1581},
	url = {<Go to ISI>://A1995RY96200008},
	author = {Aubke, F. and Hagele, G. and Willner, H.}
}
@article {3340,
	title = {STRUCTURE, HARMONIC FORCE-FIELD AND HYPERFINE COUPLING-CONSTANTS OF NITROSYL CHLORIDE},
	journal = {Journal of the Chemical Society-Faraday Transactions},
	volume = {91},
	number = {19},
	year = {1995},
	note = {ISI Document Delivery No.: TA547Times Cited: 8Cited Reference Count: 43},
	month = {Oct},
	pages = {3347-3355},
	type = {Article},
	abstract = {The pure rotational spectra of five isotopic species of nitrosyl chloride were measured using a cavity pulsed microwave Fourier-transform spectrometer. Some a-type transitions of all five isotopomers, and some weak b-type transitions of four of these isotopomers were measured in the 4-26 GHz frequency range. Precise values for the rotational constants and the quartic centrifugal distortion constants were obtained. The rotational constants were used in structure determinations and the centrifugal distortion constants were used in a refinement of the harmonic general valence force field. A harmonic central valence force field was also calculated. Hyperfine structure in these transitions arising from quadrupole and spin-rotation coupling interactions was also observed. Diagonal and off-diagonal quadrupole coupling constants and diagonal spin-rotation coupling constants of both the chlorine and nitrogen nuclei were determined. The principal quadrupole coupling constants were evaluated and used to calculate the approximate ionic character of the N-Cl bond. The spin-rotational coupling constants were used to calculate the diamagnetic shielding factor for the nitrogen nucleus; the magnitude of this value indicates a fairly ionic N-Cl bond.},
	keywords = {CL-35, EQUILIBRIUM STRUCTURE, FLUORIDE, INFRARED-SPECTRA, MILLIMETER-WAVE, MOLECULAR-STRUCTURE, N-14, PARAMETERS, SPECTROSCOPY},
	isbn = {0956-5000},
	url = {<Go to ISI>://A1995TA54700004},
	author = {Gatehouse, B. and Muller, H. S. P. and Heineking, N. and Gerry, M. C. L.}
}
@article {6761,
	title = {THEORETICAL-STUDY OF HYDRAZOIC ACID AND METHYL AZIDE},
	journal = {Chemical Physics Letters},
	volume = {175},
	number = {5},
	year = {1990},
	note = {ISI Document Delivery No.: EU257Times Cited: 3Cited Reference Count: 28},
	month = {Dec},
	pages = {525-530},
	type = {Article},
	abstract = {State-of-the-art ab initio computations have been performed on the ground state of HN3 and CH3N3. The methods employed include Roothaan-Hartree-Fock molecular orbitals, single- and double-excitation configuration interaction, as well as modified-coupled-pair-functional approximations. The basis sets chosen for this study are the highly efficient atomic natural orbitals. The variational energies obtained are lower than previous studies and the dipole moments agree with experiment. The agreement between computed and observed nuclear quadrupole coupling constants is satisfactory, especially for N-alpha. It is suggested that improved agreement for the other N atoms requires vibrational averaging and possibly the use of the finite-field method.},
	keywords = {1ST-ROW, ABINITIO, CONSTANTS, GROUND-STATE, MICROWAVE-SPECTRUM, MOMENT, N-14, NH3, NITROGEN, QUADRUPOLE HYPERFINE-STRUCTURE},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1990EU25700020},
	author = {Chong, D. P.}
}
