A compact formulation of polar tensors on bond moment hypothesis and calculation of bond moments and their derivatives of COF2

Autor:	K. C. Mishra, P. C. Dash, B. S. Mohanty
Rok vydání:	1980
Předmět:	Bond dipole moment Chemistry Chemical polarity Transition dipole moment General Physics and Astronomy Dipole Chemical bond Computational chemistry Quantum mechanics Moment (physics) Polar Astrophysics::Earth and Planetary Astrophysics Physical and Theoretical Chemistry Sign (mathematics)
Zdroj:	The Journal of Chemical Physics. 72:2081-2083
ISSN:	1089-7690 0021-9606
Popis:	A compact formulation for calculation of polar tensors on the basis of bond moment hypothesis has been developed. This has been used to calculate the bond moments and their derivatives of COF2 from integrated infrared intensity data. The calculated dipole moment is −0.93 D. The observed value is −0.95 D. A unique sign combination has been obtained.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::524beaad09da0aeee70c09ab7d7384c0 https://doi.org/10.1063/1.439302 Zobrazit plný text záznamu