Effective bond charges from experimental IR intensities
Abstract
Experimental gas-phase IR absorption intensities for water, ammonia, methane, ethene, ethyne, propyne, methyl fluoride, methyl chloride, methyl bromide, methyl iodide, formaldehyde, F 2CO, Cl 2CO, F 2CS and Cl 2CS are transformed into quantities termed effective bond charges ( δk) following a recently developed formalism. The comparison of δk values for OH, NH, CH, CX (X=F, Cl, Br, I), CO and CS bonds reveals trends of changes that can be associated with the valence state and electronegativities of constituent atoms and also with polarities and electronic polarizabilities of the respective bonds.
- Publication:
-
Spectrochimica Acta Part A: Molecular Spectroscopy
- Pub Date:
- May 1995
- DOI:
- 10.1016/0584-8539(94)01298-U
- Bibcode:
- 1995AcSpA..51..739G