The Effects of Hybridization and Hyperconjugation in the Intramolecular Blue-shifted H-Bonds N-H…O
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Theoretical study of an example of intramolecular blue-shifted H-bond N–H···O shows that the blue shift of the N–H bond is caused by an increase in s-character of the N-hybrid AO of the N–H bond upon formation of the H-bond. The effect of hyperconjugation was also analyzed.
- Chemistry Letters
Chemistry Letters 37(6), 596-597, 2008-06-05
The Chemical Society of Japan