TY - JOUR
T1 - On the origin of the Raman band shifts for H-bonded complexes of normal alcohols and 2-butoxyethanol with water
T2 - A theoretical DFT and MP2 study
AU - Zhanpeisov, Nurbosyn U.
AU - Takanashi, Sakurako
AU - Kajimoto, Shinji
AU - Fukumura, Hiroshi
N1 - Funding Information:
We gratefully acknowledge the supercomputing resources provided by the Cyberscience Center of Tohoku University and in part by Research Center for Computational Science, Okazaki, Japan. The present work was supported by a Grant-in-Aid from the Ministry of Education, Science, and Culture of Japan ( 20 245 002 ).
PY - 2010/5/17
Y1 - 2010/5/17
N2 - 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.
AB - 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.
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U2 - 10.1016/j.cplett.2010.04.015
DO - 10.1016/j.cplett.2010.04.015
M3 - Article
AN - SCOPUS:77953291778
SN - 0009-2614
VL - 491
SP - 151
EP - 155
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -