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Experimental and theoretical study of the vibrational spectra on 3,5-dimethoxybenzyl alcohol

Published online by Cambridge University Press:  07 July 2010

Y. Han ,
L. Han ,
Y. Tao ,
C. Zhao ,
Z. Liu  and
Y. Mo
Y. Han*
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
L. Han
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
Y. Tao
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
C. Zhao
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
Z. Liu
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
Y. Mo
Affiliation:
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
*
[email protected] [email protected] [email protected]
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Abstract

The Raman and FT-IR spectra of 3,5-dimethoxybenzyl alcohol (L1OH) were measured experimentally, and density functional theory (DFT) method were used to calculate the equilibrium geometry and vibration frequencies of L1OH for the first time. The results showed that the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis. Thereafter a detail assignment of the vibrational frequencies of L1OH has been obtained.

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 51 , Issue 2 , August 2010 , 21401
Copyright
© EDP Sciences, 2010

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References

Pan, Z., Cheung, E.Y., Harris, K.D.M., Constable, E.C., Housecroft, C.E., Cryst. Growth Des. 4, 451 (2004) CrossRef
Wong, P.S.H., Srinivasan, N., Kasthurikrishnan, N., Cooks, R.G., J. Org. Chem. 61, 6627 (1996) CrossRef
Gonzalez, T., Terron, M.C., Zapico, E.J., Tellez, A., Yague, S., Carbajo, J.M., Gonzalez, A.E., Appl. Environ. Microbiol. 69, 7083 (2003) CrossRef
R.S. Smith, Dalhousie University, Halifax, Nova Scotia, 1999
Choi, M.S., Yamazaki, T., Yamazaki, I., Takuzo Aida, Angew. Chem. Int. Ed. 43, 150 (2003) CrossRef
Jiang, D.-L., Aida, T., Nature 388, 454 (1997) CrossRef
Mo, Y.-J., Jiang, D.-L., Uyemura, M., Aida, T., Kitagawa, T., J. Am. Chem. Soc. 127, 10020 (2005) CrossRef
Kawa, M., Frechet, J.M., J. Chem. Mater. 10, 286 (1998) CrossRef
Shibaev, V., Bobrovsky, A., Boiko, N., Prog. Polym. Sci. 28, 729 (2003) CrossRef
Mizutani, Y., Kitagawa, T., Science 278, 443 (1997) CrossRef
Davis, A.P., Ma, G., Allen, H.C., Anal. Chim. Acta 496, 117 (2003) CrossRef
Yamaguchi, Y., Frisch, M.J., Gaw, J., Schaefer, H.F., J. Chem. Phys. 84, 2262 (1986) CrossRef
Frisch, M.J., Yamaguchi, Y., Gaw, J.F., Schaefer III, H.F., Binkley, J.S., J. Chem. Phys. 84, 531 (1986) CrossRef
Liu, J.L., Guo, Y., Xue, Y., Yan, G.S., Chem. J. Chinese Universities 30, 100 (2009) CrossRef
Shang, Z., Gao, Y., Jia, T., Mo, Y., J. Mol. Struct. 930, 60 (2009) CrossRef
He-Tao Wang, Mao-Du Chen, Wan-Li Zhao, , J. Light Scattering 20, 7 (2008)
Zhang, L., Bai, Y., Shang, Z.G., Zhang, Y.K., Mo, Y.J., J. Raman Spectrosc. 38, 1106 (2007) CrossRef
Rauhut, G., Pulay, P., J. Chem. Phys. 99, 3093 (1995) CrossRef
Sundaraganesan, N., Anand, B., Jian, F.-F., Zhao, P., Spectrochim. Acta Part A 65, 826 (2006) CrossRef
Sundaraganesan, N., Saleem, H., Mohan, S., Ramalingam, M., Spectrochim. Acta Part A 61, 377 (2005) CrossRef
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Onzalez, J.A. Pople (Gaussian, Inc., Pittsburgh, PA, 2003)
Pulay, P., Fogarasi, G., Pang, F., Boggs, J.E., J. Am. Chem. Soc. 101, 2550 (1979) CrossRef
Pulay, P., Forgarasi, G., Ponger, G., Pang, F., Boggs, J.E., J. Am. Chem. Soc. 105, 7037 (1983) CrossRef
E.B. Wilson Jr., J.C. Decius, P.C. Cross, Molecular Vibrations (Mc-Graw-Hill, New York, 1955)
Krishnakumar, V., Surumbarkuzhali, N., Muthunatesan, S., Spectrochim. Acta Part A 71, 1810 (2009) CrossRef
Perrin, R., Lamartine, R., Vicens, J., Perrin, M., Thozet, A., Hanton, D., Fugier, R., New J. Chem. 10, 179 (1986)
M. Silverstein, G.C. Basseler, C. Morill, Spectrometric Identification of Organic Compounds (Wiley, New York, 1981)
Krishnakumar, V., Ramasamy, R., J. Raman Spectrosc. 40, 1183 (2009) CrossRef