Novel dioxorhenium complex with bis(3,5-dimethypyrazol-1-yl)methane ligand - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

Polyhedron

Volumn 27, Issue 2, 2008, Pages 797-804

  Machura, B ^a   Kruszynski, R ^b   Penczek, R ^a   Mrozinski J ^c   Kusz, J ^a  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITY OF WROC AW   (Poland)

Author keywords

Bis(3,5 dimethypyrazol 1 yl)methane; DFT and TDDFT calculations; Rhenium dioxo complexes; X ray and electronic structure

Indexed keywords

CHELATION; DENSITY FUNCTIONAL THEORY; METHANE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RHENIUM COMPOUNDS; X RAY CRYSTALLOGRAPHY;

BIS(3,5-DIMETHYPYRAZOL-1-YL)METHANE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC.STRUCTURE; H NMR SPECTROSCOPY; MAGNETIZATION MEASUREMENTS; RHENIA DIOXO COMPLEX; SPECTROSCOPIC CHARACTERIZATION; TDDFT CALCULATIONS; X-RAY DENSITY; X-RAY STRUCTURE;

ELECTRONIC STRUCTURE;

EID: 38349050160     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2007.11.013     Document Type: Article

References (48)

1. Holm R.H. Chem. Rev. 87 (1987) 1401
2. Romão C.C., Kühn F.E., and Hermann W.A. Chem. Rev. 97 (1997) 3197
3. Seymore S.B., and Brown S.N. Inorg. Chem. 39 (2000) 325
4. Bélanger S., and Beauchamp A.L. Inorg. Chem. 35 (1996) 7836
5. Savoie C., and Reber Ch. Coord. Chem. Rev. 171 (1998) 387
6. Dilworth J.R., and Parrott S.J. Chem. Soc. Rev. 27 (1998) 43
7. Blower P. Dalton Trans. (2006) 1705
8. Pettinari C., and Pettinari R. Coord. Chem. Rev. 249 (2005) 663
9. Tang L.-F., Wang Z.-H., Jia W.-L., Xu Y.-M., and Wang J.T. Polyhedron 19 (2000) 381
10. Teuma E., Loy M., Le Berre C., Etienne M., Daran J.C., and Kalck P. Organomettalics 22 (2003) 5261
11. Van Langenberg K.A., Moubaraki B., Murray K.S., Tiekink E.R.T., and Kristallogr Z. New Cryst. Struct. 218 (2003) 345
12. Ruiz J., Rodriguez V., De Haro C., Perez J., and Lopez G. Inorg. Chim. Acta 357 (2004) 2331
13. Ruiz J., Cutillas N., Vincente C., Villa M.D., Lopez G., Lorenzo J., Aviles F.X., Moreno V., and Bautista D. Inorg. Chem. 44 (2005) 7365
14. Potapov A.S., and Khlebnikov A.I. Polyhedron 25 (2006) 2683
15. Reger D.L., Gardinier J.R., Pellechia P.J., Smith M.D., and Brown K.J. Inorg. Chem. 42 (2003) 7635
16. Porchia M., Papini G., Santini C., Lobia G.G., Pellei M., Tisato F., Bandoli G., and Dolmella A. Inorg. Chem. 44 (2005) 4045
17. Cowley A.R., Dilworth J.R., and Salichou M. Dalton Trans. (2007) 1621
18. Machura B., Penczek R., Kruszynski R., and Kusz J. Polyhedron 26 (2007) 2581
19. Voigt A., Abram U., Böttcher R., Richter U., Reinhold J., and Kirmse R. Chem. Phys. 253 (2000) 171
20. Lipowska M., Hansen L., Cini R., Xu X., Choi H., Taylor A.T., and Marzilli L.G. Inorg. Chim. Acta 339 (2002) 327
21. Gancheff J., Kremer C., Kremer E., and Ventura O.N. J. Mol. Struct. (Theochem.) 580 (2002) 107
22. Kuznestov M.L., Klestova-Nadeeva E.A., and Dement'ev A.I. J. Mol. Struct. (Theochem.) 671 (2004) 229
23. Psaroudakis N., Mertis K., Liakos D.G., and Simandiras E.D. Chem. Phys. Lett. 369 (2003) 490
24. Liu X.-Y., Bouherour S., Jacobsen H., Schmalle H.W., and Berke H. Inorg. Chim. Acta 330 (2002) 250
25. Bencze E., Mink J., Pápai I., Butler I.S., Lafleur D., and Gilson D.F.R. J. Organomet. Chem. 616 (2000) 1
26. Wong W.-Y., Cheung S.-H., Huang X., and Lin Z. J. Organomet. Chem. 655 (2002) 39
27. Machura B., and Kruszynski R. Polyhedron 25 (2006) 1985
28. Rouschias G., and Wilkinson G. J. Chem. Soc. A (1966) 465
29. Julia S., Sala P., del Mazo J., Sancho M., Ochoa C., Elguero J., Fayet J.P., and Vertut M.C. J. Heterocyclic Chem. 19 (1982) 1141
30. CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.2.
31. Sheldrick G.M. Acta Crystallogr. A46 (1990) 467
32. G.M. Sheldrick, shelxl97. Program for the Solution and Refinement of Crystal Structures, University of Gööttingen, Germany, 1997.
33. G.M. Sheldrick, shelxtl: Release 4.1 for Siemens Crystallographic Research Systems, 1990.
34. König E. Magnetic Properties of Coordination and Organometallic Transition Metal Compounds (1966), Springer-Verlag, Berlin
35. gaussian-03, Revision B.03, 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, 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. Johnso, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian Inc., Pittsburg PA, 2003.
36. Becke A.D. J. Chem. Phys. 98 (1993) 5648
37. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
38. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
39. Eichkorn K., Weigend F., Treutler O., and Ahlrichs R. Theor. Chem. Acc. 97 (1997) 119
40. Hariharan P.C., and Pople J.A. Theo. Chim. Acta 28 (1973) 213
41. Rassolov V.A., Ratner M.A., Pople J.A., Redfern P.C., and Curtiss L.A. J. Comp. Chem. 22 (2001) 976
42. Casida M.E. In: Seminario J.M. (Ed). Recent Developments and Applications in Modern Density Functional Theory. Theoretical and Computational Chemistry vol. 4 (1996), Elsevier, Amsterdam
43. Knoesen O., Görls H., and Lotz S. J. Organomet. Chem. 598 (2000) 108
44. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds. 4th ed. (1986), Wiley Interscience, New York
45. Jeffrey G.A., and Saenger W. Hydrogen Bonding in Biological Structures (1994), Springer-Verlag
46. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press
47. Mayer J.M. Inorg. Chem. 27 (1988) 3899
48. Reddy K.R., Domingos A., Paulo A., and Santos I. Inorg. Chem. 38 (1999) 4278