Chemical Physics Letters, Vol.491, No.4-6, 151-155, 2010
On the origin of the Raman band shifts for H-bonded complexes of normal alcohols and 2-butoxyethanol with water: A theoretical DFT and MP2 study
The present theoretical study discusses the origin of the Raman band shifts appeared in the C-H stretching vibration region for complexes of normal alcohols with water as well as those of 2-butoxyethanol. It was shown that the nature of the red shift in the Raman active C-H stretching vibration modes initiated by a nanosecond temperature jump has a novel interpretation and bolster further the previously observed phenomenon for triethylamine-water complex. (C) 2010 Elsevier B. V. All rights reserved.