Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion

Journal of Computational Chemistry

Volumn 26, Issue 9, 2005, Pages 865-870

  Dobrogorskaia Mereau Ia I ^a,b   Nemukhin, A V ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Cis Pt(NH3)2cl4 complex reduction modeling; Methyl thiolate anion; QM MM

Indexed keywords

COMPLEXATION; ELECTRONIC STRUCTURE; ION EXCHANGE; MOLECULAR DYNAMICS; NEGATIVE IONS; ORGANOMETALLICS; RATE CONSTANTS; REDUCTION;

CIS[PT(NH3)2CL4] COMPLEX REDUCTION MODELING; METHYL THIOLATE ANION; NUCLEOPHILES; QUANTUM MECHANICAL/MOLECULAR MECHANICAL (QM/MM) STUDIES;

PLATINUM COMPOUNDS;

ANTINEOPLASTIC AGENT; DIAMMINEPLATINUM(IV) TETRACHLORIDE; GLUTATHIONE; PLATINUM COMPLEX; THIOL DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; KINETICS; OXIDATION REDUCTION REACTION; STEREOISOMERISM;

ANTINEOPLASTIC AGENTS; GLUTATHIONE; KINETICS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; ORGANOPLATINUM COMPOUNDS; OXIDATION-REDUCTION; STEREOISOMERISM; SULFHYDRYL COMPOUNDS;

EID: 20344390286     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20224     Document Type: Article

References (23)

1. Rosenberg, B.; van Camp, L.; Trosko, J.; Mansour, V. Nature 1969, 222, 385.
2. Hall, M. D.; Hambley, T. W. Coord Chem Rev 2002, 232, 49.
3. Choi, S.; Filotto, C.; Bisanzo, M.; Delaney, S.; Lagasee, D.; Whitworth, J. L.; Jusko A.; Li, C.; Wood, N. A.; Willingham, J., Schwenker, A.; Spaulding, K. Inorg Chem 1998, 37, 2500.
4. Müller, Ph.; Schröder, B.; Parkinson, J.; Kratochwil, N.; Coxall, R.; Parkin, A.; Parsons, S.; Sadler, P. Angew Chem Int Ed 2003, 42, 335.
5. Lemma, K.; Berglund, J.; Farrell, N.; Elding, L. J Biol Inorg Chem 2000, 5, 300. and ref. therein.
6. Shi, T.; Berglund, J.; Elding, L. I. Inorg Chem 1996, 35, 3498.
7. Balk, M.-H.; Friesner, R. A.; Lippard, S. J. J Am Chem Soc 2003, 125, 14082. and ref. therein.
8. Burda, J. V.; Leszczynski, J. Inorg Chem 2003, 42, 7162.
9. Sponer, J. E.; Leszczynski, J., et al. Inorg Chem 2001, 40, 3269.
10. Giese, B.; McNaughton, D. Biopolymers 2003, 72, 472.
11. Robertazzi, A.; Platts, J. A. J Comput Chem 2004, 25, 1060.
12. Deubel, D. V. J Am Chem Soc 2004, 126, 5999.
13. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J Comput Chem 1993, 14, 1347.
14. Hay, P. J.; Wadt, W. R. J Chem Phys 1985, 82, 284.
15. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem Rev 1988, 88, 899.
16. Day, P. N.; Jensen, J. H., et al. J Chem Phys 1996, 105, 1968.
17. Halgren, T. A.; Lipscomb, W. N. Chem Phys Lett 1977, 49, 225.
18. Ishida, K.; Morokuma, K.; Komornicki, A. J Chem Phys 1977, 66, 2153.
19. Gonzales, C.; Schlegel, H. B. J Chem Phys 1989, 90, 2154.
20. Chong-De, L.; Li-Juan, J.; Wen-Xia, T. Spectrochim Acta A 1993, 49, 339.
21. Chen, L.; Lee, P. F., et al. Dalton Trans 1999, 8, 1209.
22. Carloni, P.; Sprik, M.; Andreoni, W. J Phys Chem B 2000, 104, 823.
23. Milburn, G. H. W.; Truter, M. R. Inorg Phys Theor J Chem Soc (A) 1966, 11, 1609.