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

  • Y. Han (a1), L. Han (a1), Y. Tao (a1), C. Zhao (a1), Z. Liu (a1) and Y. Mo (a1)...
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.

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Corresponding author
hanyunxia999@163.com zhaojunliu@gmail.com moyj@263.net
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[1] Pan, Z., Cheung, E.Y., Harris, K.D.M., Constable, E.C., Housecroft, C.E., Cryst. Growth Des. 4, 451 (2004)
[2] Wong, P.S.H., Srinivasan, N., Kasthurikrishnan, N., Cooks, R.G., J. Org. Chem. 61, 6627 (1996)
[3] Gonzalez, T., Terron, M.C., Zapico, E.J., Tellez, A., Yague, S., Carbajo, J.M., Gonzalez, A.E., Appl. Environ. Microbiol. 69, 7083 (2003)
[4] R.S. Smith, Dalhousie University, Halifax, Nova Scotia, 1999
[5] Choi, M.S., Yamazaki, T., Yamazaki, I., Takuzo Aida, Angew. Chem. Int. Ed. 43, 150 (2003)
[6] Jiang, D.-L., Aida, T., Nature 388, 454 (1997)
[7] Mo, Y.-J., Jiang, D.-L., Uyemura, M., Aida, T., Kitagawa, T., J. Am. Chem. Soc. 127, 10020 (2005)
[8] Kawa, M., Frechet, J.M., J. Chem. Mater. 10, 286 (1998)
[9] Shibaev, V., Bobrovsky, A., Boiko, N., Prog. Polym. Sci. 28, 729 (2003)
[10] Mizutani, Y., Kitagawa, T., Science 278, 443 (1997)
[11] Davis, A.P., Ma, G., Allen, H.C., Anal. Chim. Acta 496, 117 (2003)
[12] Yamaguchi, Y., Frisch, M.J., Gaw, J., Schaefer, H.F., J. Chem. Phys. 84, 2262 (1986)
[13] Frisch, M.J., Yamaguchi, Y., Gaw, J.F., Schaefer III, H.F., Binkley, J.S., J. Chem. Phys. 84, 531 (1986)
[14] Liu, J.L., Guo, Y., Xue, Y., Yan, G.S., Chem. J. Chinese Universities 30, 100 (2009)
[15] Shang, Z., Gao, Y., Jia, T., Mo, Y., J. Mol. Struct. 930, 60 (2009)
[16] He-Tao Wang, Mao-Du Chen, Wan-Li Zhao, , J. Light Scattering 20, 7 (2008)
[17] Zhang, L., Bai, Y., Shang, Z.G., Zhang, Y.K., Mo, Y.J., J. Raman Spectrosc. 38, 1106 (2007)
[18] Rauhut, G., Pulay, P., J. Chem. Phys. 99, 3093 (1995)
[19] Sundaraganesan, N., Anand, B., Jian, F.-F., Zhao, P., Spectrochim. Acta Part A 65, 826 (2006)
[20] Sundaraganesan, N., Saleem, H., Mohan, S., Ramalingam, M., Spectrochim. Acta Part A 61, 377 (2005)
[21] 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)
[22] Pulay, P., Fogarasi, G., Pang, F., Boggs, J.E., J. Am. Chem. Soc. 101, 2550 (1979)
[23] Pulay, P., Forgarasi, G., Ponger, G., Pang, F., Boggs, J.E., J. Am. Chem. Soc. 105, 7037 (1983)
[24] E.B. Wilson Jr., J.C. Decius, P.C. Cross, Molecular Vibrations (Mc-Graw-Hill, New York, 1955)
[25] Krishnakumar, V., Surumbarkuzhali, N., Muthunatesan, S., Spectrochim. Acta Part A 71, 1810 (2009)
[26] Perrin, R., Lamartine, R., Vicens, J., Perrin, M., Thozet, A., Hanton, D., Fugier, R., New J. Chem. 10, 179 (1986)
[27] M. Silverstein, G.C. Basseler, C. Morill, Spectrometric Identification of Organic Compounds (Wiley, New York, 1981)
[28] Krishnakumar, V., Ramasamy, R., J. Raman Spectrosc. 40, 1183 (2009)
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  • ISSN: 1286-0042
  • EISSN: 1286-0050
  • URL: /core/journals/the-european-physical-journal-applied-physics
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