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Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion

Year 2013, Volume: 2 Issue: 2, 54 - 59, 01.02.2013

Abstract

– Tris(2-benzimidazolylmethyl)aminepicolinatocobalt (II), [Co(ntb)(pic)]+, complex were studied theoretically. [Co(ntb)(pic)]+complex ion were synthesized and geometric parameters, vibration frequencies and UV-VIS spectrum were obtained by Nie et al. in 2010 [1]. In this study, optimized geometric parameters, vibrational spectrum, Molecular Orbital (MO) character analysis, Transition Character (TC) analysis and UV-VIS spectrum were calculated. The correlations between theoretical and experimental results were investigated

References

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Year 2013, Volume: 2 Issue: 2, 54 - 59, 01.02.2013

Abstract

References

  • N. Feng-Mei, L. Fei, S. Wen-Yu and C. Jing, Journal of Coordination Chemistry, 63 (2010) 1348-1357.
  • X. Yin, C. Lin, Z. Zhou, W. Chen, S. Zhu, H. Lin, X. Su and Y. Chen, Transition Met. Chem., 24 (1999) 537 – 540.
  • A. R. Shatzman and D. J. Kosman, Arch. Biochem. Biophys., 194 (1979) 226 – 235.
  • L. K. Thompson, B. S. Ramanswamy and E. A. Seymour, Can. J. Chem., 55 (1977) 878 – 888.
  • R.D. Dennington II, T.A. Keith, J.M. Millam, GaussView 5.0, Wallingford, CT, (2009).
  • M. J. Frisch, G. W. Trucks, H. B. Schlegel, etc., Gaussian, Inc., Wallingford CT, (2010).
  • W. Kohn and L.J. Sham, Phys. Rev. A, 137 (1965) 1697 – 1705.
  • A. D. Becke, J. Chem. Phys., 98 (1993) 5648 – 5652.
  • C. Lee, W. Yang and R. G. Parr, Phys. Rev. B, 37 (1988) 785 – 789.
  • P. J. Hay and W. R. Wadt, J. Chem. Phys., 82 (1985) 270 – 283.
  • D. Jacquemin, V. Wathelet, E. A. Perpète and C. Adamo, J. Chem. Theory Comput., 5 (2009) 2420 – 2435.
  • M. D. Halls, J. Velkovski, H. B. Schlegel, Theor. Chem. Acc., 105 (2001) 413 – 421.
  • P. Sinha, S. E. Boesch, C. M. Gu, R. A. Wheeler, A. K. Wilson, J. Phys. Chem. A, 108 (2004) 9213 – 9217.
  • M. P. Andersson, P. Uvdal, J. Phys. Chem. A, 109 (2005) 2937 – 2941.
  • Y. N. Panchenko, V. I. Pupyshev, C. W. Bock, J. Mol. Struct., 550 (2000) 495 – 504.
  • K. V. Berezin, V. V. Nechaev, T. V. Krivokhizhina, Opt. Spectrosc., 94 (2003) 357 – 360.
  • H. Xiao-Ying, L. Juan-Xiao and F. Ji-Kang, Chinese Journal of Chemistry, 25 (2007) 1370 – 1378.
There are 17 citations in total.

Details

Primary Language English
Journal Section Articles
Authors

Koray Sayin This is me

Duran Karakas This is me

Publication Date February 1, 2013
Published in Issue Year 2013 Volume: 2 Issue: 2

Cite

APA Sayin, K., & Karakas, D. (2013). Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion. Journal of New Results in Science, 2(2), 54-59.
AMA Sayin K, Karakas D. Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion. JNRS. February 2013;2(2):54-59.
Chicago Sayin, Koray, and Duran Karakas. “Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion”. Journal of New Results in Science 2, no. 2 (February 2013): 54-59.
EndNote Sayin K, Karakas D (February 1, 2013) Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion. Journal of New Results in Science 2 2 54–59.
IEEE K. Sayin and D. Karakas, “Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion”, JNRS, vol. 2, no. 2, pp. 54–59, 2013.
ISNAD Sayin, Koray - Karakas, Duran. “Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion”. Journal of New Results in Science 2/2 (February 2013), 54-59.
JAMA Sayin K, Karakas D. Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion. JNRS. 2013;2:54–59.
MLA Sayin, Koray and Duran Karakas. “Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion”. Journal of New Results in Science, vol. 2, no. 2, 2013, pp. 54-59.
Vancouver Sayin K, Karakas D. Quantum Chemical Studies on [Co(ntb)(pic)]+ Complex Ion. JNRS. 2013;2(2):54-9.


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