Spectroscopy and Spectral Analysis, Volume. 39, Issue 10, 3047(2019)
Theoretical Study on Vibrational Spectroscopy of 2-Mercapto-5-Nitrobenzimidazole by Density Functional Theory
[1] [1] Sontakke V A, Kate A N, Ghosh S, et al. New Journal of Chemistry, 2015, 39 (6): 4882.
[2] [2] Mavrova A, Yancheva D, Anastassova N, et al. Bioorganic & Medicinal Chemistry, 3015, 23(19): 6317.
[3] [3] Josepha J, Sumana A, Nagashrib K, et al. Journal of Molecular Structure, 2017, 1137: 17.
[4] [4] Popova A, Christov M, Raicheva S, et al. Corrosion Science, 2004, 46(6): 1333.
[5] [5] Dutta A, Panja S S, Nandi M M, et al. Journal of Chemical Sciences, 2015, 127(5): 921.
[6] [6] He L H, Chen J L, Zhang F, et al. Inorganic Chemistry Communications, 2012, 21: 125.
[7] [7] Ge Y Q, Jia J, Yang H, et al. Dyes & Pigments, 2011, 88(3): 344.
[8] [8] Wa sachorab M, Banasz R, Marcinkowski D, et al. RSC Advances, 2017, 7(80): 50858.
[9] [9] Ma H, Chen Y F, Wang He, et al. Journal of Physical Chemistry C, 2017, 121: 46.
[10] [10] Chen Y F, Yang J, Li Z L, et al. Spectrochimica Acta Part A, 2016, 153: 344.
[11] [11] Fleming G D, Finnerty J J, Campos-Vallette M, et al. Journal of the American Chemistry Society, 2009, 127(48): 16835.
[12] [12] Becke A D. Physical Review A, 1988, 38: 3098.
[13] [13] Becke A D. Journal of Chemistry Physics, 1993, 98: 5648.
[14] [14] Jamróz M H. Vbrational Energy Distribution Analysis VEDA 4 Program. Warsaw, 2004.
[15] [15] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT, 2013.
[16] [16] Sundaraganesan, N, Dominic B J, Settu K. Spectrochimica Acta Part A, 2007, 66: 381.
[17] [17] Lu T, Chen F W, Journal of Computational Chemistry, 2012, 33: 580.
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CHEN Yu-feng, SHAO Chang-bin, ZUO Ming-hui, ZHUANG Zhi-ping, ZHAO Bing. Theoretical Study on Vibrational Spectroscopy of 2-Mercapto-5-Nitrobenzimidazole by Density Functional Theory[J]. Spectroscopy and Spectral Analysis, 2019, 39(10): 3047
Received: Sep. 11, 2018
Accepted: --
Published Online: Nov. 5, 2019
The Author Email: Yu-feng CHEN (chenyf11@mails.jlu.edu.cn)