Vibrational analysis of propane and its symmetrical deuterium substituted isomers
作者： H.L. McMurry , D. Speas
DOI: 10.1016/0371-1951(65)80226-0
关键词:
摘要: The simplified group vibration method (Spectrochim. Acta) has been applied to the calculation of vibrational frequencies and normal modes propane its symmetrical deuterium substituted isomers. force constants used were determined by Schachtschneider Snyder [11] give calculated in agreement with assignments for many paraffins. They good results deutero-propanes as well. eigenvectors which describe all these molecules are given. To illustrate application coordinate analyses slow neutron scattering calculations, effective masses mean squared amplitudes needed calculations obtained propane.
harvard.edu
elsevier.com
sci-hub.se 参考文章(25)
H. L. McMurry, L. J. Gannon, W. A. Hestir, EVALUATION OF TECHNIQUES FOR COMPUTING PARTIAL DIFFERENTIAL SCATTERING CROSS SECTIONS Nuclear Science and Engineering. ,vol. 15, pp. 438- 450 ,(1963) , 10.13182/NSE63-A26461
H. L. McMurry, CALCULATION OF PARTIAL DIFFERENTIAL SCATTERING CROSS SECTIONS FOR SLOW NEUTRONS Nuclear Science and Engineering. ,vol. 15, pp. 429- 437 ,(1963) , 10.13182/NSE63-A26460
R.G. Snyder, J.H. Schachtschneider, Vibrational analysis of the n-paraffins—I: Assignments of infrared bands in the spectra of C3H8 through n-C19H40 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 19, pp. 85- 116 ,(1963) , 10.1016/0371-1951(63)80095-8
H.L. McMurry, Calculation of vibrational frequencies in large molecules: Part I. Theoretical Journal of Molecular Spectroscopy. ,vol. 3, pp. 203- 215 ,(1959) , 10.1016/0022-2852(59)90023-2
H.L. McMurry, Calculation of vibrational frequencies in large molecules: Part II. Application to ethane and ethane-d6 Journal of Molecular Spectroscopy. ,vol. 3, pp. 216- 234 ,(1959) , 10.1016/0022-2852(59)90024-4
R. G. Breene, The Normal Coordinates of N‐Dimethylaminodiborane The Journal of Chemical Physics. ,vol. 23, pp. 97- 102 ,(1955) , 10.1063/1.1740572
N. Sheppard, D. M. Simpson, J. N. Agar, Correlations between Characteristic Frequencies of the Paraffins and the Skeletal Frequencies of Some Structurally Analogous Polar Molecules Journal of Chemical Physics. ,vol. 23, pp. 582- 584 ,(1955) , 10.1063/1.1742033
Norman Sheppard, Delia M. Simpson, The infra-red and Raman spectra of hydrocarbons. Part II. Paraffins Quarterly Reviews, Chemical Society. ,vol. 7, pp. 19- 55 ,(1953) , 10.1039/QR9530700019
Takehiko Simanouti, The Normal Vibrations of Polyatomic Molecules as Calculated by Urey‐Bradley Field. III. A Table of Force Constants The Journal of Chemical Physics. ,vol. 17, pp. 848- 851 ,(1949) , 10.1063/1.1747075
T. J. Krieger, M. S. Nelkin, Slow-Neutron Scattering by Molecules Physical Review. ,vol. 106, pp. 290- 295 ,(1957) , 10.1103/PHYSREV.106.290