Isomerism in the cis-dichloro-tris(dimethyl sulfoxide)(carbonyl)ruthenium(II) complex: A density functional theory investigation

Journal of Molecular Structure

Volumn 646, Issue 1-3, 2003, Pages 61-66

  Calligaris, M ^a   Panina, N S ^b  

^a UNIVERSITY OF TRIESTE   (Italy)

^b ST PETERSBURG STATE INSTITUTE OF TECHNOLOGY TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

DFT calculations; Dimethyl sulfoxide; Isomerism; Ruthenium

Indexed keywords

CARBONYL DERIVATIVE; CHLOROFORM; DICHLOROTRIS(DIMETHYL SULFOXIDE)(CARBONYL)RUTHENIUM; DIMETHYL SULFOXIDE; METHANOL; RUTHENIUM COMPLEX; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CIS ISOMER; DENSITY; ENERGY; GAS; ISOMERISM; STRUCTURE ANALYSIS; TRANS ISOMER;

EID: 84962360799     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(02)00587-2     Document Type: Article

References (23)

1. M. Calligaris, O. Carugo, Coord. Chem. Rev. 153 (1996) 83.
2. E. Alessio, G. Mestroni, G. Nardin, W.M. Attia, M, Calligaris, G. Sava, S, Zorzet, Inorg. Chem. 27 (1988) 4099.
3. E. Alessio, B. Milani, M. Bolle, G. Mestroni, P. Faleschini, F. Todone, S. Geremia, M. Calligaris, Inorg. Chem. 34 (1995) 4722.
4. B. Serli, E. Zangrando, E. Iengo, G. Mestroni, L. Yellowlees, E. Alessio, Inorg. Chem. 41 (2002) 4033.
5. B. Serli, E. Zangrando, E. Iengo, E. Alessio, Inorg. Chim. Acta 339 (2002) 265.
6. E. Alessio, E. Iengo, S. Geremia, M. Calligaris, Inorg. Chim. Acta (2002) in press.
7. S. Geremia, M. Calligaris, Yu.N. Kukushkin, A.V. Zinchenko, V. Yu. Kukushkin, J. Mol. Struct. 516 (2000) 49.
8. M. Stener, M. Calligaris, J. Mol. Struct. (Theochem) 497 (2000) 91.
9. N.S. Panina, Yu.N. Kukushkin, M. Calligaris, Z. Neorgan. Khim. 45 (2000) 1005.
10. N.S. Panina, Yu.N. Kukushkin, M. Calligaris, Russian J. Inorg. Chem. 45 (2000) 904.
11. N.S. Panina, M. Calligaris, Inorg. Chim. Acta 334 (2002) 165.
12. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 284.
13. M.W. Schmidt, K.K. Baldrige, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14 (1993) 1347.
14. S. Miertus, E. Scrocco, J. Tomasi, Chem. Phys. 55 (1981) 117.
15. J. Tomasi, M. Persico, Chem. Rev. 94 (1994) 2027.
16. R. Cammi, J. Tomasi, J. Comput. Chem. 16 (1995) 1449.
17. L. Salem, Electrons in Chemical Reactions: First Principles, Wiley, New York, 1982.
18. Hyperchem, Hypercube Inc., Waterloo, Ont., Canada, 1994.
19. M. Calligaris, Croat. Chem. Acta 72 (1999) 147.
20. R. Thomas, C.B. Shoemaker, K. Eriks, Acta Crystallogr. 21 (1966) 12.
21. M. Calligaris, A. Melchior, S. Geremia, Inorg, Chim. Acta 323 (2001) 89.
22. F.A. Cotton, E.V. Dikarev, M.A. Petrukhina, S.-E. Stiriba, Inorg. Chem. 39 (2000) 1748.
23. M.K. Smith, J.A. Gibson, C.G. Young, J.A. Broomhead, P.C. Junk, F.R. Keene, Eur. J. Inorg. Chem. (2000) 1365.