Bulletin of the Korean Chemical Society

  • 제34권10호
  • /
  • Pages.2889-2894
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  • 2013
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Synthesis, Crystal Structure and Theoretical Calculation of a Novel Nickel(II) Complex with Dibromotyrosine and 1,10-Phenanthroline

  • Huang, Guimei (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Zhang, Xia (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Fan, Yuhua (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Bi, Caifeng (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Yan, Xingchen (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Zhang, Zhongyu (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China) ;
  • Zhang, Nan (Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China)
  • 투고 : 2013.06.08
  • 심사 : 2013.07.04
  • 발행 : 2013.10.20
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초록

A new complex [$Ni(phen)(C_9H_8Br_2NO_3)_2{\cdot}2CH_3OH{\cdot}2H_2O$] [phen: 1,10-phenanthroline $C_9H_8Br_2NO_3$: 3,5-dibromo-L-tyrosine] was synthesized and characterized by IR, elemental analysis and single crystal X-ray diffraction. X-ray crystallography shows that Ni(II) ion is six-coordinated. The Ni(II) ion coordinates with four nitrogen atoms and two oxygen atoms from three ligands, forming a mononuclear Ni(II) complex. The crystal crystallizes in the Orthorhombic system, space group $P2_12_12$ with a = 12.9546 ${\AA}$, b = 14.9822 ${\AA}$, c = 9.9705 ${\AA}$, V = 1935.2 ${\AA}$, Z = 1, F(000) = 1008, S = 0.969, ${\rho}_{calcd}=1.742g{\cdot}cm^{-3}$, ${\mu}=4.688mm^{-1}$, $R_1$ = 0.0529 and $wR_2$ = 0.0738 for 3424 observed reflections (I > $2{\sigma}(I)$). Theoretical study of the title complex was carried out by density functional theory (DFT) method and the B3LYP method employing the $6-3l+G^*$ basis set. The energy gap between HOMO and LUMO indicates that this complex is prone to interact with DNA. CCDC: 908041.

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참고문헌

  1. Singh, K. N.; Singh, B. S.; Singh, N.; Shriviasta, A. Bio. Metals. 2003, 16, 471-477.
  2. Zhang, N.; Fan, Y. H.; Zhang, Z.; Zuo, J.; Zhang, P. F.; Wang, Q.; Liu, S. B.; Bi, C. F. Inorg. Chem. Commun. 2012, 22, 68-72. https://doi.org/10.1016/j.inoche.2012.05.022
  3. Osowole, A. A.; Ott, I. Int. J. P. App. Chem. 2012, 2, 156-169.
  4. Koo, B. K.; Kim, J.; Lim, W. T. J. Korean Chem. Soc. 2007, 51, 595-599. https://doi.org/10.5012/jkcs.2007.51.6.595
  5. Zou, J. P.; Luo, Sh. L.; Li, M. J.; Tang, X. H.; Xing, Q. J.; Peng, Q.; Guo, G. C. Polyhedron 2010, 29, 2674-2679. https://doi.org/10.1016/j.poly.2010.06.008
  6. Okamoto, Y.; Ojika, M.; Kato, S.; Sakagami, Y. Tetrahedron 2000, 56, 5813-5818. https://doi.org/10.1016/S0040-4020(00)00544-5
  7. Ravinder, K.; Reddy, A. V.; Raju, T. V.; Venkateswarlu, Y. ARKIVOC (Gainesville, FL, U. S.). 2005, 51-55.
  8. Kossuga, M. H.; de Lira, S. P. et al. Quimica Nova. 2007, 30, 1194-1202. https://doi.org/10.1590/S0100-40422007000500027
  9. Silva, M. M.; Bergamasco, J. et al. Aust. J. Chem. 2010, 63, 886-894. https://doi.org/10.1071/CH09616
  10. Sallam, A. A.; Ramasahayam, S.; Meyer, S. A.; El Sayed, K. A. Bioorg. Med. Chem. 2010, 18, 7446-7457. https://doi.org/10.1016/j.bmc.2010.08.057
  11. Zhang, F.; Zhang, Q. Q.; Wang, W. G.; Wang, X. L. J. Photochem. Photobiol., A: Chem. 2006, 184, 241-249. https://doi.org/10.1016/j.jphotochem.2006.04.028
  12. Li, L.; Pan, Q.; Song, G. W. Mater. Sci. Eng., C 2013, 33, 2078-2083. https://doi.org/10.1016/j.msec.2013.01.027
  13. Khorasani-Motlagh, M.; Noroozifar, M.; Moodi, A.; Niroomand, S. J. Photochem. Photobiol., B: Bio. 2013, 120, 148-155. https://doi.org/10.1016/j.jphotobiol.2012.12.010
  14. Sathisha, M. P.; Shetti, U. N.; Revankar, V. K.; Pai, V. K. R. Eur. J. Med. Chem. 2008, 43, 2338-2346. https://doi.org/10.1016/j.ejmech.2007.10.003
  15. Shrivastav, A.; Singh, N. K.; Srivastava, G. Bioorg. Med. Chem. 2002, 10, 2693-2704. https://doi.org/10.1016/S0968-0896(02)00087-1
  16. Afrasiabi, Z.; Sinn, E.; Lin, W. S.; Ma, Y. F.; Campana, C.; Padhye, S. J. Inorg. Biochem. 2005, 99, 1526-1531. https://doi.org/10.1016/j.jinorgbio.2005.04.012
  17. Frisch, K. D.; Trucks, G. W.; Schlegel, H. B.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A. Gaussian03, Revision A. 6, Gaussian, Inc., Pittsburgh PA, 2003.
  18. Sheldrick, G. M. SHELXTL-97, Program for Crystal Structure Refinement; University of Gottingen, Germany, 1997.
  19. Zhang, N.; Fan, Y. H.; Bi, C. F.; Zhao, Y.; Zhang, X.; Zhang, D. M.; Huang, G. M. Transition Met. Chem. 2013, 38, 463-471. https://doi.org/10.1007/s11243-013-9712-x
  20. Wang, A. D.; Bi, C. F.; Fan, Y. H.; Zou, Y. N.; Xu, J. K.; Kan, Y. H. Russ. J. Coord. Chem. 2008, 34, 475-479. https://doi.org/10.1134/S1070328408070014
  21. Xia, S. W.; Xu, X.; Sun, Y. L.; Fan, Y. H.; Bi, C. F.; Zhang, D. M.; Yang, L. R. Chinese. J. Struct. Chem. 2006, 25, 197-203.
  22. Takjoo, R.; Centore, R.; Rhyman, L.; Ramasami, P. J. Coord. Chem. 2012, 65, 1569-1579. https://doi.org/10.1080/00958972.2012.675058
  23. Miao, T. F.; Liao, S. Y.; Lu, H. L.; Zheng, K. C.; Ji, L. N. J. Mol. Struct. THEOCHEM. 2008, 870, 94-99. https://doi.org/10.1016/j.theochem.2008.09.005
  24. Kurita, N.; Kobayashi, K. Comput. Chem. 2000, 24, 351-357. https://doi.org/10.1016/S0097-8485(99)00071-6
  25. Ryeha, D.; Kabela , M.; Ryja k, F.; Syponer, F.; Syponer, J. E.; Elstner, M.; Suhai, S.; Hobza, P. J. Am. Chem. Soc. 2002, 124, 3366-3376. https://doi.org/10.1021/ja011490d

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