Combined kinetic and DFT studies on the stabilization of the pyramidal form of H3PO2 at the heterometal site of [Mo 3M′S4(H2O)10]4+ clusters (M′ = Pd, Ni)

Dalton Transactions

Volumn , Issue 9, 2009, Pages 1579-1586

  Algarra, Andrés G ^a   Fernández Trujillo, María J ^a   Safont, Vicent S ^b   Hernández Molina, Rita ^c   Basallote, Manuel G ^a  

^a UNIVERSITY OF CÁDIZ   (Spain)

^b UNIVERSITAT JAUME I   (Spain)

^c Facultad de Farmacia   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BI-PHASIC KINETICS; DFT STUDIES; FIRST-ORDER DEPENDENCES; HYDROGEN SHIFTS; KINETIC STEPS; METAL CENTRES; OXYGEN ATOMS; P-O BONDS; SUBSTITUTION STEPS; TAUTOMERIZATION;

HYDROGEN; MOLECULES; MOLYBDENUM; OXYGEN; PALLADIUM; PHOSPHORUS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

COORDINATION REACTIONS;

NICKEL; PALLADIUM; PHOSPHORUS ACID DERIVATIVE; SULFUR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; KINETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; NICKEL; PALLADIUM; PHOSPHORUS ACIDS; QUANTUM THEORY; SULFUR;

EID: 60649100010     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b817509h     Document Type: Article

References (40)

1. K. B. Dillon, F. Mathey and J. F. Nixon, Phosphorus: The Carbon Copy, Wiley, New York, 1998 and references therein
2. F. Mathey, Phosphorus-carbon heterocyclic chemistry: the rise of a new domain, Elsevier, Oxford, 2001
3. C. M. Nagaraja M. Nethaji B. R. Jagirdar Inorg. Chem. 2005 44 6203
4. C. M. Nagaraja P. Parameswaran E. D. Jemmis B. R. Jagirdar J. Am. Chem. Soc. 2007 129 5587
5. F. A. Cotton, G. Wilkinson, C. A. Murillo and M. Bochmann, Advanced Inorganic Chemistry, 6th edn, John Wiley and Sons, New York, 1999, pp. 380-420
6. N. N. Greenwood and A. Earnshaw, Chemistry of the Elements, Pergamon Press, Oxford, 1998, pp. 513-514
7. A. Fratiello E. W. Anderson J. Am. Chem. Soc. 1963 85 519
8. T. E. Haas H. G. Gillmann Inorg. Chem. 1968 7 2051
9. J. W. Larson Polyhedron 1990 9 1071
10. J. R. Van Wazer, Phosphorus and Its Compounds, Interscience, New York, 1958, pp. 364-367
11. D. N. Akbayeva M. Di Vaira S. S. Costantini M. Peruzzini P. Stoppioni Dalton Trans. 2006 389
12. M. N. Sokolov E. V. Chubarova K. A. Kovalenko I. V. Mironov A. V. Virovets E. V. Peresypkina V. P. Fedin Russ. Chem. Bull. 2005 54 615
13. R. Hernandez-Molina M. N. Sokolov M. Clausen W. Clegg Inorg. Chem. 2006 45 10567
14. M. N. Sokolov E. V. Chubarova A. V. Virovets R. Llusar V. P. Fedin J. Cluster Sci. 2003 14 227
15. M. N. Sokolov R. Hernandez-Molina W. Clegg V. P. Fedin A. Mederos Chem. Commun. 2003 140
16. M. N. Sokolov A. V. Virovets D. N. Dybtsev E. V. Chubarova V. P. Fedin D. Fenske Inorg. Chem. 2001 40 4816
17. R. Hernández-Molina I. Kalinina M. N. Sokolov M. Clausen J. González Platas C. Vicent R. Llusar Dalton Trans. 2007 5 550
18. A. G. Algarra M. G. Basallote M. J. Fernandez-Trujillo R. Hernandez-Molina V. S. Safont Chem. Commun. 2007 29 3071
19. D. M. Saysell G. J. Lamprecht J. Darkwa A. G. Sykes Inorg. Chem. 1996 35 5531
20. D. M. Saysell C. D. Borman C.-D. Kwak A. G. Sykes Inorg. Chem. 1996 35 173
21. A. V. Prisyazhnyuk Y. V. Babin J. Struct. Chem. 2005 46 164
22. E. M. Georgiev J. Kaneti K. Troev D. M. Roundhill J. Am. Chem. Soc. 1993 115 10964
23. R. Hernandez-Molina M. N. Sokolov A. G. Sykes Acc. Chem. Res. 2001 34 223
24. R. Hernandez-Molina A. G. Sykes J. Chem. Soc., Dalton Trans. 1999 3137
25. C. A. Routledge A. G. Sykes J. Chem. Soc., Dalton Trans. 1992 325
26. M. N. Sokolov N. Coichev H. D. Moya R. Hernandez-Molina C. D. Borman A. G. Sykes Chem. Commun. 1997 11 1863
27. V. P. Fedin M. N. Sokolov A. V. Virovets N. V. Podberezskaya V. E. Fedorov Inorg. Chim. Acta 1998 269 292
28. T. Murata H. Gao Y. Mizobe F. Nakano S. Motomura T. Tanase S. Yano M. Hidai J. Am. Chem. Soc. 1992 114 8287
29. R. A. Binstead, B. Jung and A. D. Zuberbühler, SPECFIT/32, Spectrum Software Associates, Chappel Hill, 2000
30. Gaussian 03, Revision E.01, 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 and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004
31. A. D. Becke J. Phys. Chem. 1993 98 5648
32. C. T. Lee W. T. Yang R. G. Parr Phys. Rev. B 1988 37 785
33. P. J. Hay W. R. Wadt J. Chem. Phys. 1985 82 299
34. C. E. Check T. O. Faust J. M. Bailey B. J. Wright T. M. Gilbert L. S. Sunderlin J. Phys. Chem. A 2001 105 8111
35. T. H. Dunning, Jr. and P. J. Hay, Modern Theoretical Chemistry, ed., J. F. Schaefer, III, Plenum, New York, 1976, pp. 1-28
36. K. Fukui J. Phys. Chem. 1970 74 4161
37. C. Gonzalez H. B. Schlegel J. Phys. Chem. 1990 94 5523
38. C. Gonzalez H. B. Schlegel J. Chem. Phys. 1991 95 5853
39. M. Cossi G. Scalmani N. Rega V. Barone J. Chem. Phys. 2002 117 43
40. J. Tomasi B. Mennucci R. Cammi Chem. Rev. 2005 105 2999