Chemistry Letters, Vol.37, No.6, 596-597, 2008
The effects of hybridization and hyperconjugation in the intramolecular blue-shifted H-bonds N-H center dot center dot center dot O
Theoretical study of an example of intramolecular blue-shifted H-bond N-H center dot center dot center dot 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.