EXAFS measurements of bond-stretching force constants in arsenic and arsenic compounds
โ Scribed by J.M. Tranquada; C.Y. Yang
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 329 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0038-1098
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๐ SIMILAR VOLUMES
The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH
## Abstract Although the two hydroxyl groups in 1,2โdiols interact as evidenced by NMR and IR spectroscopic shifts, electron density topological analysis has shown a bond critical point (BCP) and atomic bond path to be absent (Klein, R. A.; J Comp Chem 2002, 23, 585โ599; J Am Chem Soc 2002, 124, 13