FT-IR and Raman spectra and DFT calculations on bis(L-histidinato) nickel(II) monohydrate

Journal of Molecular Structure

Volumn 1054-1055, Issue , 2013, Pages 143-149

  Maia, J R ^a   Lima, J A ^a   Freire, P T C ^a   Mendes Filho, J ^a   Nogueira, C E S ^b   Teixeira, A M R ^b   De Menezes, A S ^c   Remedios C M R ^d   Cardoso, L P ^e  

^a FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^b REGIONAL UNIVERSITY OF CARIRI   (Brazil)

^c FEDERAL UNIVERSITY OF MARANHÃO   (Brazil)

^d FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^e UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Amino acid complexes; Bis(L histidinato)nickel(II) Monohydrate; DFT calculations; FT IR spectroscopy; Raman spectroscopy; Vibrational study

Indexed keywords

NICKEL COMPOUNDS; POTENTIAL ENERGY; RAMAN SCATTERING;

AMINO ACID COMPLEX; AMINO-ACIDS; BIS(L-HISTIDINATO)NICKEL(II) MONOHYDRATE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL-THEORY; FOURIER TRANSFORM INFRARED; FT-IR SPECTROSCOPY; OPTIMIZED GEOMETRIES; POTENTIAL ENERGY DISTRIBUTION; VIBRATIONAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 84885496863     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2013.09.042     Document Type: Article

References (31)

1. M.N. Hugues The Inorganic Chemistry of Biological Processes 1972 John Wiley and Sons London
2. A.X. Trautwein, Bioinorganic Chemistry: Transition Metals in Biology and their Coordination Chemistry: Deutsche Forschungsgemeinschaft Weinheim, 1997.
3. P.C. Wilkins, and R.G. Wilkins Inorganic Chemistry in Biology 1997 Oxford University Press Kettering
4. A.I. Bush Curr. Opin. Chem. Biol. 4 2000 184
5. T. Sakajiri, H. Yajima, T. Yamamura, ISRN Biophysics, vol. 2012, (Article ID 124803).
6. J. Gazo, I.B. Bersuker, J. Garaj, M. Kabesova, J. Kohout, H. Langfelderova, M. Melnik, M. Serator, and F. Valach Coord. Chem. Rev. 19 1976 253
7. K.A. Fraser, and M.M. Harding J. Chem. Soc. A - Inorg. Phys. Theor. 1967 415
8. T. Sakurai, H. Iwasaki, T. Katano, and Y. Nakahashi Acta Crystallogr., Sect. B: Struct. Sci. 34 1978 660
9. R.O. Jones, and O. Gunnarsson Physics 61 1989 689
10. 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, V. Bakken, 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. Gonzalez, and J.A. Pople Gaussian 03, Revision C.02 2004 Gaussian Inc. Wallingford CT
11. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
12. K. Burke Electronic Density Functional Theory: Recent Progress and New Directions 1998 Springer New York
13. B.G. Johnson, and M.J. Frisch J. Chem. Phys. 100 1994 7429
14. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093
15. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 14572
16. M.H. Jamroz Spectrochimica Acta, Part A 114 2013 220 230
17. S. Kumar, A.K. Rai, S.B. Rai, and D.K. Rai Ind. J. Phys. 84 2010 563
18. J.L.B. Faria, F.M. Almeida, O. Pilla, F. Rossi, J.M. Sasaki, F.E.A. Melo, J. Mendes, and P.T.C. Freire J. Raman Spectrosc. 35 2004 242
19. P. Anandan, R. Jayavel, T. Saravanan, G. Parthipan, C. Vedhi, and R.M. Kumar Opt. Mater. 34 2012 1225
20. C.M.R. Remedios, W. Paraguassu, J.A. Lima, P.T.C. Freire, J. Mendes, F.E.A. Melo, A.S. de Menezes, A.O. dos Santos, L.P. Cardoso, and M.A.R. Miranda J. Phys.: Condens. Matter 20 2008 275209
21. A.J.D. Moreno, P.T.C. Freire, I. Guedes, F.E.A. Melo, J. Mendes, and J.A. Sanjurjo Braz. J. Phys. 29 1999 380
22. A. Ben Ahmed, N. Elleuch, H. Feki, Y. Abid, and C. Minot Spectrochim. Acta, Part A 79 2011 2011 554
23. J.M. Ramos, O. Versiane, J. Felcman, A. Claudio, and S. Téllez Spectrochim. Acta, Part A 68 2007 1370 1378
24. J.M. Ramos, O. Versiane, J. Felcman, A. Claudio, and S. Téllez Spectrochim. Acta, Part A 67 2007 1046 1054
25. A.M. Petrosyan Vibr. Spectrosc. 43 2007 284
26. E.J. Baran, I. Viera, and M.H. Torre Spectrochim. Acta, Part A 66 2007 114
27. J.M. Ramos, O. Versiane, J. Felcman, A. Claudio, and S. Téllez Spectrochim. Acta, Part A 72 2009 182 189
28. C.C. Wagner, and E.J. Baran Acta Farm. Bonaerense 21 2002 287
29. O. Versiane Cabral, J. Felcman, A. Claudio, and S. Téllez Spectrochim. Acta, Part A 61 2005 337 345
30. G. Faget O, T. Giannerini, J. Felcman, A. Claudio, and S. Téllez Spectrochim. Acta, Part A 61 2005 2121 2129
31. J.M. Ramos, M.T. Cruz, A.C. Costa Jr., G.F. Ondar, G.B. Ferreira, L. Raniero, A.A. Martin, O. Versiane, and C.A. téllez Soto Spectrochim. Acta, Part A 97 2012 1041 1051