Rao, C. N. R. ; Randhawa, H. S. ; Reddy, N. V. R. (1976) Carbonyl and nitrile stretching frequencies and intensities in organic molecules Spectrochimica Acta Part A: Molecular Spectroscopy, 32 (4). pp. 685-688. ISSN 0584-8539
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/058485...
Related URL: http://dx.doi.org/10.1016/0584-8539(76)80134-1
Abstract
Carbonyl stretching frequencies in a wide variety of compounds are satisfactorily predicted by the CNDO/2 method. The C=O stretching force constant generally varies within ±10%. The calculated dipole moment derivatives vary in the same direction as the observed C=O or C≡N stretching band intensities in related series of molecules.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 41978 |
| Deposited On: | 31 May 2011 14:29 |
| Last Modified: | 31 May 2011 14:29 |
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