Vibrational Intensities in F2CO: Some Corrections
- 15 September 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (6) , 2890-2894
- https://doi.org/10.1063/1.1676511
Abstract
A number of errors in earlier reports of the infrared intensities of F2CO and their interpretation have been discovered and corrected in the present paper. The earlier values of ∂p/∂Si calculated using the CNDO/2 approximate quantum mechanical treatment have been corrected, and the previous results extended so that the calculated bond moments can be compared with the experimental values, similarly corrected. These results are now much more closely in agreement with chemical intuition that the earlier results implied.Keywords
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