Crystal and electronic structure of a protonated imidazole diphosphopentamolybdenum(VI) polyoxometalate: (C4H7N 2)4[HP2Mo5O23]· H3O·4.5H2O

Journal of Coordination Chemistry

Volumn 57, Issue 2, 2004, Pages 123-132

  Yue, S M ^a   Yan, L K ^a   Su, Z M ^a   Li, G H ^b   Chen, Y G ^a   Ma, J F ^a   Xu, H B ^a   Zhang, H J ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Density functional theory; Diphosphopentamolybdate; Hydrogen bond; Organoammonium; X ray diffraction

Indexed keywords

CATION; HYDROGEN; IMIDAZOLE DERIVATIVE; IMIDAZOLE DIPHOSPHOPENTAMOLYBDENUM POLYOXOMETALATE; MOLYBDENUM; OXYGEN; PHOSPHORUS; POLYANION; UNCLASSIFIED DRUG; WATER;

ARTICLE; ATOMIC PARTICLE; CHEMICAL ANALYSIS; CHEMICAL COMPOSITION; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRON; ELECTRONICS; HYDROGEN BOND; OXIDATION REDUCTION REACTION; PROTON TRANSPORT; SUPRAMOLECULAR CHEMISTRY; SYNTHESIS; X RAY DIFFRACTION;

EID: 1842732805     PISSN: 00958972     EISSN: None     Source Type: Journal    
DOI: 10.1080/00958970410001664974     Document Type: Article

References (33)

1. A.K. Cheetham, Science 264, 794 (1994).
2. Y.G. Li, N. Hao, E.B. Wang, M. Yuan, C.W. Hu, N.H. Hu and H.G. Jia, Inorg. Chem. 42, 2729 (2003).
3. Y.G. Li, G.J.H. De, M. Yuan, E.B. Wang, R.D. Huang, C.W. Hu, N.H. Hu and H.Q. Jia, J. Chem. Soc., Dalton Trans. 331 (2003).
4. E.R. Braithwaite and J. Haber (Eds.), Molybdenum: an Outline of its Chemistry and Uses (Elsevier, Amsterdam, 1994).
5. Y.G. Li, E.B. Wang, S.T. Wang, Y.B. Duan, C.W. Hu, N.H. Hu and H.Q. Jia, J. Mol. Struct. 611, 185 (2002).
6. M.I. Khan and J.P. Zubieta, Inorg. Chem. 43, 1 (1995).
7. R. Strandberg, Acta Chem. Scand. 27, 1004 (1973).
8. B. Hedman, Acta Chem. Scand. 27, 3335 (1973).
9. J. Fisher, L. Ricard and P. Toledano, J. Chem. Soc., Dalton Trans. 9, 941 (1974).
10. M.P. Lowe, J.C. Lockhart, G.A. Clegg and K.A. Fraser, Angew. Chem., Int. Ed. Engl. 33, 451 (1994).
11. A. Aranzabe, A.S.J. Wery, S. Martin, J.M. Gutierrez-Zorrilla, A. Luque, M. Martinez-Ripoll and P. Roman, Inorg. Chim. Acta 255, 35 (1997).
12. Y.H. Wang, L.D. Chen, C.W. Hu, E.B. Wang, H.Q. Jia and N.H. Hu, Chin. J. Chem. 20, 22 (2002).
13. J.M. Maestre, J.M. Poblet, C. Bo, N. Casanñ-Pastor and P. Gomez-Rohmer, Inorg. Chem. 37, 3444 (1998).
14. H. Duclusaud and S.A. Broshch, J. Am. Chem. Soc. 123, 2825 (2001).
15. H. Duclusaud and S.A. Broshch, Inorg. Chem. 38, 3489 (1999).
16. T. Higashi, Program for Absorption Correction (Rigaku Corporation, Tokyo, Japan, 1995).
17. G.M. Sheldrick, SHELXS-97, Program for Automatic Solution of Crystal Structure (University of Göttingen, Germany, 1997).
18. G.M. Sheldrick, SHELXL-97, Program for Crystal Structure Refinement (University of Göttingen, Germany, 1997).
19. International Tables for X-ray Crystallography (Kluwer Academic, Dordrecht, 1992), Vol. C.
20. W. Kohn and L.J. Sham, Phy. Rev. A 1133, 140 (1965).
21. (a) E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys. 2, 41 (1973); (b) L. Versluis and T. Ziegler, J. Chem. Phys. 322, 88 (1988); (c) G. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992); (d) C. Fonseca Guerra, J.G. Snijders, G. te Velde and E.J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
22. (a) E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys. 2, 41 (1973); (b) L. Versluis and T. Ziegler, J. Chem. Phys. 322, 88 (1988); (c) G. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992); (d) C. Fonseca Guerra, J.G. Snijders, G. te Velde and E.J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
23. (a) E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys. 2, 41 (1973); (b) L. Versluis and T. Ziegler, J. Chem. Phys. 322, 88 (1988); (c) G. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992); (d) C. Fonseca Guerra, J.G. Snijders, G. te Velde and E.J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
24. (a) E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys. 2, 41 (1973); (b) L. Versluis and T. Ziegler, J. Chem. Phys. 322, 88 (1988); (c) G. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992); (d) C. Fonseca Guerra, J.G. Snijders, G. te Velde and E.J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
25. S.H. Vosko, L. Wilk and M.C. Nusair, J. Phys. 58, 1200 (1980).
26. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
27. J.P. Perdew, Phys. Rev. B 33, 8822 (1986).
28. J.M. Maestre, X. Lopez, C. Bo, J.M. Poblet and N. Casan-Pastor, J. Am. Chem. Soc. 123, 3749 (2001).
29. W.M. Xue, M.C.W. Chan, Z.M. Su, K.K. Cheung, S.T. Liu and C.M. Che, Organometallics 17, 1622 (1998).
30. Z.M. Su, H.Z. Gao, H. Cheng, B. Chu, L.H. Chen, R.S. Wang, Y. Wang and J.C. Shen, Sci. in China, Ser. B 43, 657 (2000).
31. S.Y. Yang, S.X. Xiao, T.L. Chen and R.S. Wang, Chin. J. Chem. Phys. 13, 36 (2000).
32. A.J. Bridgeman and G. Cavigliasso, Inorg. Chem. 41, 3500 (2002).
33. A.J. Bridgeman and G. Cavigliasso, Inorg. Chem. 41, 1761 (2002).