Journal
Article title
Authors
Content
Title variants
Languages of publication
Abstracts
(E)-N’-(3,3-dimethyl-2,6-diarylpiperidin-4-ylidene)-4-methoxybenzohydrazide (DDMs) have been synthesized and their IR and 1H spectra were recorded. The optimized geometric parameters (bond lengths, bond angles and dihedral angles) were in good agreement with the corresponding experimental values. In addition, HOMO-LUMO, MEP and atomic charges of carbon, nitrogen and oxygen were calculated using B3LYP/6-311G(d,p) level theory. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted.
Discipline
Publisher
Journal
Year
Volume
Pages
27-46
Physical description
Contributors
author
- Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India
author
- Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India, sdarlinquine@gmail.com
References
- [1] C. Ramalingam, Y.T. Park, S. Kabilan, Eur. J. Med. Chem., 41 (2006) 683.
- [2] S. Balasubraanian, G. Aridoss, P. Parthiban, Biol. Pharm. Bull., 29 (2006) 125.
- [3] S. Murugesan, S. Perumal, S. Selvaraj, Chem. Pharm. Bull., (Tokyo) 54 (2006) 795.
- [4] M.X. Li, C.L. Chen, C.S. Ling, J. Zhou, B.S. Ji, Y.J. Wu, J.Y. Niu, Bioorg. Med. Chem. Lett., 19 (2009) 2704.
- [5] Sethukumar, C. Udhaya Kumar, R. Agilandeshwari, B. Arul Prakasam, J. Mol. Struct., 1047 (2013) 237.
- [6] J. Jayabharathi, V. Thanikachalam, M. Padamavathy, N. Srinivasan, Spectrochim. Acta, Part A 81 (2011) 380.
- [7] J. Jayabharathi, V. Thanikachalam, M. Padamavathy, M. Venkatesh Perumal, J. Fluoresc., 22 (2012) 269.
- [8] L. Ravikumar, G. Rathika, R. Punitha, Int. J. Eng. Res. Tech., 2 (2013) 3137.
- [9] S. Subashchandrabose, H. Saleem, Y. Erdogdu, G. Rajarajan, V. Thanikachalam, Spectrochim. Acta, Part A 82 (2011) 260.
- [10] Dhandapani, S. Manivarman, S. Subaschandrabose, H. Saleem, J. Mol. Struct., 1058 (2014) 41.
- [11] G. Velraj, S. Soundharam, C. Sridevi, J. Mol. Struct., 1060 (2014) 156.
- [12] M. Arockia doss, S. Savithiri, G. Rajarajan, V. Thanikachalam, C. Anbuselvan, Spectrochimica Acta Part A 151 (2015) 773.
- [13] G. Thiyagarajan, P. Anjana, P. Nithya, P. Ashutosh, Int. J. Org. Chem., 1 (2011) 71.
- [14] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y.Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 03, Revision C.02, Gaussian Inc., Wallinford, CT, 2004.
- [15] R. P. Iczkowski, J.L. Margrave, J. Am. Chem. Soc., 83 (1961) 3547.
- [16] R.G. Parr, L. Szentpaly, S. Liu, J. Am. Chem. Soc., 121 (1999) 1922.
- [17] R.G. Parr, R. G. Pearson, J. Am. Chem. Soc., 105 (1983) 7512.
- [18] Manimekalai, S. Sivakumar, Magn. Reson. Chem., 49 (2011) 830.
- [19] J. Jayabharathi, A. Thangamani, S. Balamurugan, A. Thiruvalluvar, Acta Cryst., E 64, (2008) o1181.
- [20] K. Ravichandran, S. Sethuvasan, K. Thirunavukarasu, S. Ponnuswamy, M.N. Ponnuswamy, Acta Cryst., E 68 (2012) o2453.
- [21] C. Sankar, K. Pandiarajan, A. Thiruvalluvar, P. Gayathri, Acta Cryst. (2010). E66, o2841.
- [22] F.J. Luque, J.M. Lopez, M. Orozco, Theor. Chem. Acc., 103 (2000) 343.
- [23] Fleming, I. Frontier Orbitals and Organic Chemical Reactions. Wiley, London, 1976.
- [24] F. Kandemirli, S. Sagdinc, Corros. Sci., 49 (2007) 2118.
- [25] Z. Demircioğlu, C. Albayrak Kaştaş, O. Büyükgüngör, J. Mol. Struct., 1091 (2015) 183.
- [26] K. Gokula Krishnan, R. Sivakumar, V. Thanikachalam, H. Saleem, M. Arockia doss, Spectrochimica Acta Part A 144 (2015) 29.
- [27] S. Savithiri, M. Arockia Doss, G. Rajarajan, V. Thanikachalam, J. Mol. Struct., 1105 (2016) 225.
- [28] M. Arockia doss, S. Savithiri, G. Rajarajan, V. Thanikachalam, H. Saleem, Spectrochimica Acta Part A 148 (2015) 189.
- [29] S. Savithiri, M. Arockia Doss, G. Rajarajan, V. Thanikachalam, S. Bharanidharan, H. Saleem, Spectrochimica Acta Part A. 2015, 136, 782.
- [30] Z.M. Jin, B. Zhao, W. Zhou, Z.H. Jin, J. Powder Diff. 12 (1997) 47.
Document Type
article
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.psjd-708885ba-2046-4507-b9ad-1c673db26020