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A novel compounds 2-(substitutedphenyl)-3-(2,6-diisopropylphenyl)thiazolidin-4-one (8-12) were synthesized and characterized with the aid of spectral techniques. The molecular geometry of synthesized compound was calculated in the ground state by density functional theory (DFT/B3LYP) using 6-31G(d,p) basis set. The Mulliken and MEP analyses confirm the reactive sites in the designed compounds. The calculated HOMO and LUMO energies were used to analyze the charge transfer within the molecule. The electrical dipole moment (μ) and first hyperpolarizability (βo) values have been computed using DFT/B3LYP method. The higher first order hyperpolarizability of 12 found to be 1.20 x10-30 esu indicating its use as non-linear optical (NLO) material.
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59-72
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- Department of Chemistry, Government Arts College, Chidambaram - 608201, Tamil Nadu, India
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- Department of Chemistry, Government Arts College, Chidambaram - 608201, Tamil Nadu, India
References
- [1] S. P. Singh, S. S. Parmar, K. Raman, V. I. Stenberg, Chem. Rev. 1981, 81, 175.
- [2] F. C. Brown, Chem. Rev. 1961, 61, 463.
- [3] Verma, S. K. Saraf, Eur. J. Med. Chem. 2008, 43, 897.
- [4] P. Vicini, A. Gernikaki, K. Anastasia, M. Incerti, F. Zani, Bioorg. Med. Chem. 2006, 14, 3859.
- [5] D. Pandya, K. B. Nair, Pharmazie 1993, 48, 414.
- [6] A. Geies, E. A. Bakhite, H. S. El-Kashef, Pharmazie 1998, 53, 686.
- [7] I. Eid, F. A. Ragab, S. L. El-Ansary, S. M. El-Gazayerly, F. E. Mourad, Arch. Pharm. 1994, 327, 211.
- [8] O. Ates, A. Kocabalkanli, G. Sanis-Otuk, A. C. Ekinci, A. Vidin, Arzneim.-Forsch. 1997, 47, 1134.
- [9] R. Bhat, S. Shetty, J. Indian Pharm. Sci. 1987, 194.
- [10] J. Andres, J. J. Bronson, S. V. D. Andrea, M. S. Deshpande, P. J. Falk, K. A. Grant-Young, W. E. Harte, H. T. Ho, P. F. Misco, J. G. Robertson, D. Stock, Y. Sun, A. W. Walsh, Biorg. Med. Chem. Lett. 2000, 10, 715.
- [11] M. Arockia doss, S. Savithiri, G. Rajarajan, V. Thanikachalam, C. Anbuselvan Spectrochim. Acta Part A, 2015, 151, 773.
- [12] N.C. Desai, A.M. Dodiya, J. Saudi Chem. Soc. 18 (2014) 425.
- [13] 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.
- [14] H.B. Schlegel, J. Comput. Chem. 1982, 3, 214.
- [15] A.P. Scott, L. Radom, J. Phys. Chem. 1996, 100, 16502.
- [16] V. Sangeetha, M. Govindarajan, N. Kanagathara, M.K. Marchewka, M. Drozd, G. Anbalagan, J. Mol. Struct. 2013, 1054-1055, 307.
- [17] E. Scrocco, J. Tomasi, Adv. Quantum. Chem. 1978, 103, 115.
- [18] V. Arjunan, P.S. Balamourougane, C.V. Mythili, S. Mohan, V. Nandhakumar, J. Mol. Struct. 2011, 1006, 247.
- [19] N. Sundaraganesan, S. Ilakiamani, B. Dominic Joshua, Spectrochim. Acta part A, 2007, 67, 287.
- [20] S. Savithiri, M. Arockia doss, G. Rajarajan, V. Thanikachalam, S. Bharanidharan, H. Saleem, Spectrochimica Acta Part A, 2015, 136, 782.
- [21] S. Savithiri, M. Arockia doss, G. Rajarajan, V. Thanikachalam, J. Mol. Struct. 2014, 1075, 430.
- [22] K. Gokula Krishnan, R. Sivakumar, V. Thanikachalam, H. Saleem, M. Arockia Doss, Spectrochimica Acta Part A, 2015, 144, 29.
- [23] S. Savithiri, M. Arockia doss, G. Rajarajan, V. Thanikachalam, J. Mol. Struct. 2016, 1105, 225.
- [24] K. Anandhy, M. Arockia doss, S. Savithiri, G. Rajarajan, S. Mahalakshmi, Int. J. Adv. Res. Trends Eng. Technol. 2016, 3, 1301.
- [25] M. Arockia doss , G. Rajarajan, V. Thanikachalam, S. Selvanayagam, B. Sridhar, J. Mol. Struct. 2017, 1128, 268.
- [26] S.R. Marder, B. Kippelen, A.K.Y. Jen, N. Peyghambarian, Nature, 1997, 388, 845.
- [27] Y. Shi, C. Zhang, J.H. Bechtel, L.R. Dalton, B.H. Robinson, W.H. Steier, Science, 2000, 288, 119.
- [28] M.R.S.A. Janjua, M. Amin, M. Ali, B. Bashir, M.U. Khan, M.A. Iqbal, W. Guan, L. Yan, Z.M. Su, Eur. J. Inorg. Chem. 2012, 4, 705.
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bwmeta1.element.psjd-d892c485-9191-44d3-9b6c-11b73ae7917b