Theoretical modeling of electrochemical interactions in bimetallic molybdenum nitrosyl complexes incorporating saturated bridges

Polyhedron

Volumn 27, Issue 13, 2008, Pages 2819-2824

  Noga, Klemens ^a   Romańczyk, Piotr P ^b   Włodarczyk, Andrzej J ^b   Broclawik, Ewa ^c  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b CRACOW UNIVERSITY OF TECHNOLOGY   (Poland)

^c INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

DFT modeling; Electrochemical interactions; Mixed valence systems; Molybdenum nitrosyl binuclear complex; Tris(pyrazolyl)borato ligand

Indexed keywords

EID: 49749126036     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.06.019     Document Type: Article

References (32)

1. McCleverty J.A., and Ward M.D. Acc. Chem. Res. 31 (1998) 842
2. Ward M.D. Chem. Soc. Rev. 24 (1995) 121
3. de Rege P.J.F., Williams S.A., and Therien M.J. Science 269 (1995) 1409
4. Wlodarczyk A., Doyle G.A., Maher J.P., McCleverty J.A., and Ward M.D. J. Chem. Soc., Chem. Commun. (1997) 769
5. Wlodarczyk A., Maher J.P., McCleverty J.A., and Ward M.D. J. Chem. Soc., Chem. Commun. (1995) 2397
6. McWhinnie S.L.W., Jones C.J., McCleverty J.A., Collison D., and Mabbs F.E. J. Chem. Soc., Chem. Commun. (1990) 940
7. Creutz C., and Taube H. J. Am. Chem. Soc. 95 (1973) 1086
8. Wlodarczyk A., Maher J.P., McCleverty J.A., and Ward M.D. J. Chem. Soc., Dalton Trans. (1997) 3287
9. McWhinnie S.L.W., Thomas J.A., Hamor T.A., Jones C.J., McCleverty J.A., Collison D., Mabbs F.E., Harding C.J., Yellowlees L.J., and Hutchings M.G. Inorg. Chem. 35 (1996) 760
10. Al Obaidi N., Hamor T.A., Jones C.J., McCleverty J.A., and Paxton K. J. Chem. Soc., Dalton Trans. (1987) 2653
11. Romańczyk P.P., Guzik M.N., and Włodarczyk A.J. Polyhedron 26 (2007) 1182
12. Włodarczyk A.J., Romańczyk P.P., Kurek S.S., Nitek W., and McCleverty J.A. Polyhedron 27 (2008) 783
13. Braun-Sand S.B., and Wiest O. J. Phys. Chem. A 107 (2003) 285
14. Yokogawa D., Sato H., Nakao Y., and Sakaki S. Inorg. Chem. 46 (2007) 1966
15. Landry V.K., Pang K., Quan S.M., and Parkin G. J. Chem. Soc., Dalton Trans. (2007) 820
16. 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, J.A. Pople, gaussian 03, Revision D.01, Gaussian, Inc., Wallingford, CT, 2004.
17. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
18. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 284
19. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
20. Check C.E., Faust T.O., Bailey J.M., Wright B.J., Gilbert T.M., and Sunderlin L.S. J. Phys. Chem. A 105 (2001) 8111
21. Weigend F., Haser M., Patzelt H., and Ahlrichs R. Chem. Phys. Lett. 294 (1998) 143
22. Andrae D., Haeussermann U., Dolg M., Stoll H., and Preuss H. Theor. Chim. Acta 77 (1990) 123
23. Weigend F., and Ahlrichs R. Phys. Chem. Chem. Phys. 7 (2005) 3297
24. Handy N.C., and Cohen A.J. Mol. Phys. 99 (2001) 403
25. Cossi M., Rega N., Scalmani G., and Barone V. J. Chem. Phys. 114 (2001) 5691
26. A.R. Allouche, gabedit is a free Graphical User Interface for Computational Chemistry Packages. Available from: .
27. Lundberg M., and Siegbahn P.E.M. J. Chem. Phys. 122 (2005) 224103
28. Jaworska M., and Stasicka Z. New J. Chem. 29 (2005) 604
29. Jaworska M., and Stasicka Z. J. Organomet. Chem. 689 (2004) 1703
30. Jaworska M. Polyhedron 26 (2007) 3247
31. Harvey J.N. Annu. Rep. C, Phys. Chem. 102 (2006) 203
32. Roncaroli F., Videla M., Slep L.D., and Olabe J.A. Coord. Chem. Rev. 251 (2007) 1903