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Bond Properties and Molecular Conformation from Vibrational Intensity Analysis

B. Galabov ; Department of Chemistry, University of Sofia, 1126 Sofia, Bulgaria
T. Dudev ; Department of Chemistry, University of Sofia, 1126 Sofia, Bulgaria
J. R. Durig ; Department of Chemistry, University of South Carolina, Columbia, SC 29208,U.S.A.

Puni tekst: engleski, pdf (8 MB) str. 569-587 preuzimanja: 182* citiraj
APA 6th Edition
Galabov, B., Dudev, T. i Durig, J.R. (1988). Bond Properties and Molecular Conformation from Vibrational Intensity Analysis. Croatica Chemica Acta, 61 (3), 569-587. Preuzeto s https://hrcak.srce.hr/175937
MLA 8th Edition
Galabov, B., et al. "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis." Croatica Chemica Acta, vol. 61, br. 3, 1988, str. 569-587. https://hrcak.srce.hr/175937. Citirano 04.03.2021.
Chicago 17th Edition
Galabov, B., T. Dudev i J. R. Durig. "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis." Croatica Chemica Acta 61, br. 3 (1988): 569-587. https://hrcak.srce.hr/175937
Harvard
Galabov, B., Dudev, T., i Durig, J.R. (1988). 'Bond Properties and Molecular Conformation from Vibrational Intensity Analysis', Croatica Chemica Acta, 61(3), str. 569-587. Preuzeto s: https://hrcak.srce.hr/175937 (Datum pristupa: 04.03.2021.)
Vancouver
Galabov B, Dudev T, Durig JR. Bond Properties and Molecular Conformation from Vibrational Intensity Analysis. Croatica Chemica Acta [Internet]. 1988 [pristupljeno 04.03.2021.];61(3):569-587. Dostupno na: https://hrcak.srce.hr/175937
IEEE
B. Galabov, T. Dudev i J.R. Durig, "Bond Properties and Molecular Conformation from Vibrational Intensity Analysis", Croatica Chemica Acta, vol.61, br. 3, str. 569-587, 1988. [Online]. Dostupno na: https://hrcak.srce.hr/175937. [Citirano: 04.03.2021.]

Sažetak
Experimental vibrational intensities in infrared spectra can be
transformed into quantities characterizing bond properties fol-
lowing the formalism of the bond polar parameters model. The
theory is briefly presented. An optimized set of bond polar parameters for hydrocarbons is obtained following constraints derived
from experimental spectral data and ab initio MO calculations.
The set of intensity parameters together with transferable force
constants is used in predicting the infrared spectra of individual
conformers and equilibrium conformer mixtures of n-butane-do,
n-pentane-d, n-pentane-djj and n-hexane-d, The influence of
rotational isomerism on infrared intensities in these systems is discussed.

Hrčak ID: 175937

URI
https://hrcak.srce.hr/175937

Posjeta: 255 *