Millimeter Wave Spectrum and Molecular Force Field of Tetratomic C2υ Molecules: NO2F

作者: A. M. Mirri , G. Cazzoli , L. Ferretti

DOI: 10.1063/1.1670483

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摘要: The millimeter rotational spectrum of NO2F has been measured in the frequency range 90–200 kMc/sec. By centrifugal distortion analysis, based on Kivelson and Wilson first‐order perturbation treatment, following values ground‐state parameters were obtained: A = 13 201.31 B = 11 446.25 C = 6118.99 τaaaa = − 0.039814 τbbbb = − 0.078638 τaabb = 0.012452 τabab = −0.048868. Two different methods used order to determine general quadratic force field, by combination infrared microwave data. first method is complete consistency between constants vibration frequencies normal species best fit spectrum. second uses least‐square determination corrections some starting set constants. All isotopic‐ normal‐species Bernitt, Miller, Hisatsune all contributions millimetric transitions as experime...

参考文章(15)
Anna M. Mirri, E. Mazzariol, Millimeter wave spectra of NOCl and NOBr and force constant determination Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 22, pp. 785- 792 ,(1966) , 10.1016/0371-1951(66)80107-8
Daniel Kivelson, E. Bright Wilson, Theory of Centrifugal Distortion Constants of Polyatomic Rotor Molecules The Journal of Chemical Physics. ,vol. 21, pp. 1229- 1236 ,(1953) , 10.1063/1.1699170
Daniel Kivelson, E. Bright Wilson, Approximate Treatment of the Effect of Centrifugal Distortion on the Rotational Energy Levels of Asymmetric‐Rotor Molecules The Journal of Chemical Physics. ,vol. 20, pp. 1575- 1579 ,(1952) , 10.1063/1.1700219
J. Kuntzmann, Emile Durand, Solutions Numeriques des Equations Algebriques Mathematics of Computation. ,vol. 17, pp. 202- ,(1963) , 10.2307/2003646
A.M. Mirri, A. Guarnieri, General force field of NSF from microwave and infra-red data Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 23, pp. 2159- 2165 ,(1967) , 10.1016/0584-8539(67)80102-8
R. L. Cook, Molecular Force Field and Centrifugal Distortion Constants of Nitrosyl Fluoride The Journal of Chemical Physics. ,vol. 42, pp. 2927- 2933 ,(1965) , 10.1063/1.1703265
J.L. Duncan, I.M. Mills, The calculation of force constants and normal coordinates—IV XH4 and XH3 molecules Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 20, pp. 523- 546 ,(1964) , 10.1016/0371-1951(64)80047-3