Quantum chemical calculations, experimental investigations and DNA studies on (E)-2-((3-hydroxynaphthalen-2-yl)methylene)-N-(pyridin-2-yl) hydrazinecarbothioamide and its Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes

Polyhedron

Volumn 45, Issue 1, 2012, Pages 71-85

  Yousef, T A ^a   Abu El Reash, G M ^b   El Morshedy, R M ^b  

^a Forensic Chemistry Laboratory at Mansoura   (Egypt)

^b Mansoura University   (Egypt)

Author keywords

DNA degradation; Molecular modelling; Thermal analysis; Thiosemicarbazone complexes

Indexed keywords

EID: 84865339186     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2012.07.041     Document Type: Article

References (71)

1. T.A. Yousef, O.A. El-Gammal, S.E. Ghazy, and G.M. Abu El-Reash J. Mol. Struct. 1004 2011 271
2. T.A. Yousef, F.A. Badria, S.E. Ghazy, O.A. El-Gammal, and G.M. Abu El-Reash J. Med. Med. Sci. 3 2011 37
3. G. Grover, and S.G. Kini J. Med. Chem. 41 2006 256
4. O.A. El-Gammal, G.M. Abu El-Reash, S.E. Ghazy, and T.A. Yousef J. Coord. Chem. 65 2012 1655
5. N.K. Kaushik, and A.K. Mishra Ind. J. Chem. 42A 2003 2762
6. B. Dede, F. Karipcin, and M. Cengiz J. Hazard. Mater. 163 2009 1148
7. A.K. Mishra, N. Manav, and N.K. Kaushik Spectrochim. Acta, Part A 61 2005 3097
8. M.G. Abd El Wahed, E.M. Nour, S. Teleb, and S. Fahim J. Therm. Anal. Calorim. 76 2004 343
9. A. Garoufis, S. K. Hadjikakou, N. Hadjiliadis, Metallotherapeutic drugs and metal-based diagnostic agents: the use of metals in medicine, in: M. Gielen, E.R.T. Tiekink (Eds.), John Wiley & Sons Ltd, 2005, Chapter 21, p. 399.
10. S. Halder, S.M. Peng, G.H. Lee, T. Chatterjee, A. Mukherjee, S. Dutta, U. Sanyal, and S. Bhattacharya New J. Chem. 32 2008 105
11. D. Kovala-Demertzi, M.A. Demertzis, J.R. Miller, C. Papadopoulou, C. Dodorou, and G. Filousis J. Inorg. Biochem. 86 2001 555
12. F. Jensen Introduction to Computational Chemistry 1999 Wiley Chichester, UK
13. T. Ercanli, and D.B. Boyd J. Chem. Inf. Model. 45 2005 591
14. Y.D. Scherson, S.J. Aboud, J. Wilcox, and B.J. Cantwell J. Phys. Chem. C 115 2011 11036
15. J.J.P. Stewart J. Comp. Chem. 10 2 1989 209
16. J.J.P. Stewart J. Comp. Chem. 16 7 1989 221
17. J.J.P. Stewart J. Comp. Chem. 12 1991 320
18. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart J. Am. Chem. Soc. 107 1985 3902
19. M.J.S. Dewar, and K.M.M. Merz Jr. Organometallics 7 1988 522
20. E.J. Bell, and M.A. Mckervey J. Mol. Model. 4 1998 44
21. J.M. Ducéré, and L. Cavallo J. Phys. Chem. B 111 2007 13124
22. Amsterdam Density Functional Program, Theoretical Chemistry, Amsterdam, The Netherlands, URL: http://www.scm.com.
23. G.T. Velde, F.M. Bickelhaupt, E.J. Baerends, C.F. Guerra, S.J.A.V. Gisbergen, J.G. Snijders, and T. Ziegler J. Comput. Chem. 22 9 2001 931
24. C.F. Guerra, J. Snijders, G.T. Velde, and E.J. Baerends Theor. Chem. Acc. 99 1998 391
25. V.P. Nicu, J. Neugebauer, S.K. Wolff, and E.J. Baerends Theor. Chem. Acc. 119 1-3 2008 245
26. A.I. Vogel Quantitative Inorganic Analysis seventh ed. 2010 Longmans London
27. N.L. Allinger J. Am. Chem. Soc. 99 1977 8127
28. HyperChem version 8.0 Hypercube, Inc., (2002).
29. R.R. Zaky, and T.A. Yousef J. Mol. Struct. 1002 2011 76
30. T.A. Yousef, T.H. Rakha, U. El-Ayaan, and G.M. Abu El-Reash J. Mol. Struct. 1007 2012 146
31. T.A. Yousef, G.M. Abu El-Reash, O.A. El-Gammal, R.A. Bedier, J. Mol. Struct. (2012) under publication.
32. T.A. Yousef, G.M. Abu El-Reash, T.H. Rakha, and U. El-Ayaan Spectrochim. Acta 83 1 2011 271
33. M.C. Rodríguez-Arguüelles, S. Mosquera-Vaźquez, P. Tourón-Touceda, J. Sanmartín-Matalobos, A.M. García-Deibe, M. Belicchi-Ferrari, G. Pelosi, C. Pelizzi, and F. Zani J. Inorg. Biochem. 101 2009 138
34. M.M. Omar, Gehad G. Mohamed, and Amr A. Ibrahim Spectrochim. Acta, Part A 73 2009 358
35. F.A. Cotton, G. Wilkinson, C.A. Murillo, and M. Bochmann Advanced Inorganic Chemistry sixth ed. 1999 Wiley New York
36. A.I. El-Said Trans. Met. Chem. 28 2003 749
37. A.B.P. Lever Inorganic Electronic Spectroscopy 1984 Elsevier Amsterdam
38. M.M. Mostafa, M.A. Khattab, and K.M. Ibrahim Polyhedron 2 1983 583
39. D. Kivelson, and R. Niemen J. Chem. Phys. 35 1961 149
40. G. Speie, J. Csihony, A.M. Whalen, and C.G. Pie-pont Inorg. Chem. 35 1996 3519
41. B.J. Hathaway, and D.E. Billing Coord. Chem. Rev. 5 1970 143
42. J.L. Mesa, J.L. Pizarro, and M.I. Arriortua Cryst. Res. Technol. 33 1998 489
43. O. Khan, T. Mallah, J. Gouteron, S. Jeanin, and Y.J. Eanin J. Chem. Soc., Dalton Trans. 1989 1117
44. A. W. Addison, "Spectroscopic and redox trends from model copper complexes", in: K.D.Karlin, J. Zubieta (Eds.), Adenine Press, New York, 1983, pp.109-128.
45. V.V. Pavlischuk Theor. Exp. Chem. 31 1995 1
46. R.K. Ray, and G.R. Kauffman Inorg. Chem. Acta. 173 1990 207
47. K. Jayasubramanian, S.A. Samath, S. Thambidurai, R. Murugesan, and S.K. Ramalingam Trans. Met. Chem. 20 1995 76
48. V.S.X. Anthonisamy, and R. Murugesan Chem. Phys. Lett. 287 1998 353
49. V.S.X. Anthonisamy, R. Anantharam, and R. Murugesan Spectrochim. Acta, Part A 55 1999 135
50. N. Raman, Y.P. Raja, and A. Kulandaisamy Proc. Ind. Acad. Sci. (Chem. Sci.) 113 3 2001 183
51. R.P. John Spectrochim. Acta, Part A 59 2003 1349
52. G.A.A. Al-Hazmi, M.S. El-Shahawi, E.M. Gabr, and A.A. El-Asmy J. Coord. Chem. 58 8 2005 713
53. N.M. El-Metwally, E.M. Gabr, A.A. Abou-Hussen, and A.A. El-Asmy Trans. Met. Chem. 31 2006 71
54. R.G. Pearson J. Org. Chem. 54 1989 1423
55. R.G. Parr, and R.G. Pearson J. Am. Chem. Soc. 105 1983 7512
56. P. Geerlings, F. De Proft, and W. Langenaeker Chem. Rev. 103 2003 1793
57. R.G. Parr J. Am. Chem. Soc. 121 1999 1922
58. P.K. Chattaraj, and S. Giri J. Phys. Chem. A 111 2007 11116
59. S. Sagdinc, B. Koksoy, F. Kandemirli, and S.H. Bayari J. Mol. Struct. 917 2009 63
60. M.S. Masoud, A.E. Ali, M.A. Shaker, and G.S. Elasala Spectrochim. Acta, Part A 90 2012 93
61. S.W. Xia, X. Xu, Y.L. Sun, Y.L. Fan, Y.H. Fan, C.F. Bi, D.M. Zhang, and L.R. Yang Chin. J. Struct. Chem. 25 2006 200
62. W. Linert, and A. Taha J. Chem. Soc., Dalton Trans. 2 1994 1091
63. A.W. Coats, and J.P. Redfern Nature 20 1964 68
64. H.H. Horowitz, and G. Metzger Anal. Chem. 25 1963 1464
65. A.A. Frost, and R.G. Pearson Kinetic and Mechanism 1961 Wiley New York
66. R.M. Issa, A.M. Khedr, and A. Tawfik Synth. React. Inorg. Met.-Org. Chem. 34 2004 1087
67. C.J. Burrows, and J.G. Muller Chem. Rev. 98 1998 1109
68. D.S. Sigman, T.W. Bruce, A. Mazumder, and C.L. Sutton Acc. Chem. Res. 26 1993 98
69. D.S. Sigman, A. Mazumder, and D.M. Perrin Chem. Rev. 93 1993 2295
70. G. Prativel, M. Pitie, J. Bernadou, and B. Meunier Angew. Chem., Int. Ed. Engl. 30 1991 702
71. F. Champloy, N. Benali-Cherif, P. Bruno, I. Blain, M. Pierrot, and M. Reglier Inorg. Chem. 37 1998 3910