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31.
Communicated by J.M. Howie 相似文献
32.
Robin S. McDowell Melvin I. Buchwald Michael S. Sorem Alan G. Robiette Catherine M. Deeley Welf A. Kreiner 《Journal of Molecular Spectroscopy》1985,112(2):363-376
A Fourier transform infrared spectrum of 91% 13CD4 has been recorded between 885 and 1193 cm?1 with a resolution of 0.04 cm?1. The frequencies of 600 lines were measured with an accuracy of ±0.003 cm?1. Of these, approximately 368 are assigned as allowed transitions in ν4, 95 are forbidden ν4 transitions, and 137 belong to ν2; maximum upper state J values are 20 for ν4 and 19 for ν2. The ground state tensor constants Dt, H4t, and H6t were obtained by fitting them to four rotational transitions observed by Kreiner and Opferkuch in the infrared-microwave double-resonance spectrum. An interacting-band analysis of the diad then yields 22 spectroscopic constants for these Coriolis-coupled fundamentals and fits the experimental frequencies with an rms deviation of 0.0055 cm?1 for 432 unblended lines that were assigned unit weight. A ν4P+(12) transition at 943.3812 cm?1, nearly coincident with the 10P(22) emission of the 12C16O2 laser, has been investigated by heterodyne spectroscopy and its detuning (?64 MHz) and absorption coefficient have been determined. Such coincidences may lead to the development of laser analytical techniques for 13CD4, which is a useful nonradioactive atmospheric tracer. 13CD4 transitions that are within 300 MHz of isotopic CO2 laser lines are tabulated for this purpose and for use in double-resonance experiments. 相似文献
33.
Keith McDowell 《Chemical physics letters》1979,66(3):423-427
The perturbation expansion of Hartree-Fock potential energy surfaces of simple hydrides in a single-center scale 1/Z-expansion is carried out using diagrammatic methods. Diagrams having the topological structure of third-order diagrams are summed to all orders using an integral equation technique. The resulting one-electron wavefunction is used to generate a resummed perturbation series correct through fourth order. 相似文献
34.
W.J. McDowell 《Trends in analytical chemistry : TRAC》1985,4(6):X-XIII
Finding a suitable method for a chemical separation in the literature is difficult. A new keywording/indexing method makes retrieval of information on a specific separation easy. 相似文献
35.
L. S. McDowell P. R. Giffen A. Chatt 《Journal of Radioanalytical and Nuclear Chemistry》1987,110(2):519-529
The selenium content of a variety of food items representing a normal hospital diet has been determined by cyclic instrumental neutron activation analysis (CINAA) through the 162-keV gamma-ray of the77mSe nuclide. The CINAA method is very simple and rapid. It involves irradiation of a sample for 20 s, decay for 20 s, and counting for 20 s. The precision of the method has been significantly improved by recycling the samples up to 4 times. The accuracy has been evaluated by analyzing a number of certified reference materials of varied selenium levels. 相似文献
36.
37.
R. Nakagaki D.C. Frost C.A. McDowell 《Journal of Electron Spectroscopy and Related Phenomena》1981,22(3):289-296
N 1s core-electron spectra have been studied for nitroanilines and related compounds. The spectral data are qualitatively interpreted by means of the molecules-in-molecule method, which describes the interaction between the aromatic amine part (donor moiety) and the nitro group (acceptor moiety) in terms of a composite system consisting of a donor and an acceptor. It was found that the nitro-N 1s spectra and the separation between the nitro-N 1s and the amino-N 1s ionization energies depend upon the magnitude of the intramolecular charge-transfer interaction in the ground state. A similarity between the relaxation effect in the nitro-N 1s or nitro-O 1s core-hole ion and a nitration reaction of the donor moiety is demonstrated. 相似文献
38.
Adelbert Owyoung Peter Esherick Alan G. Robiette Robin S. McDowell 《Journal of Molecular Spectroscopy》1981,86(1):209-215
A near-Doppler-limited isotropic Raman spectrum of the symmetric stretching fundamental ν1 of 28SiH4 has been recorded between 2182.8 and 2187.0 cm?1 using high-sensitivity “quasi-cw” inverse Raman spectroscopy. The band exhibits compact, nonoverlapping J manifolds, which were measured from Q(0) through Q(13), plus a portion of Q(14). Since ν1 is in resonance with the nearby infrared-active stretch ν3, these two bands were analyzed simultaneously using the infrared frequencies of ν3 reported by Cabana, Gray, Robiette, and Pierre. The results confirm their analysis, in which several perturbation-allowed ν1 transitions were identified in the infrared, but the molecular constants for the v1 = 1 state are much better determined with the inclusion of the Raman data. At higher J, ν1 exhibits significant intensity perturbations due to a breakdown of the selection rule ΔN = 0; these have been quantitatively accounted for. 相似文献
39.
J.C. Bunzli D.C. Frost F.G. Herring C.A. McDowell 《Journal of Electron Spectroscopy and Related Phenomena》1976,9(3):289-305
The He(I) photoelectron spectra of Cl2CCH2, Cl2CCF2, Cl2CF2 and Cl2CBr2 have been recorded. Detailed assignments of the 相似文献
40.