Parallel disulfido bridges in bi- and poly-nuclear transition metal compounds: Bonding flexibility induced by redox chemistry

Inorganica Chimica Acta

Volumn 361, Issue 12-13, 2008, Pages 3631-3637

  Mealli, Carlo ^a   Ienco, Andrea ^a   Messaoudi, Abdelatif ^a   Poduska, Anne ^b   Hoffmann, Roald ^b  

^a ICCOM CNR   (Italy)

^b Cornell University ^*  (United States)

Author keywords

2S22 S42 dichotomy; Coupling of sulfides; DFT calculations; Disulfide bridges; Qualitative MO analysis; S4 rings

Indexed keywords

COPPER COMPOUNDS; COVALENT BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; ELECTRONS; IRON COMPOUNDS; OXIDATION; PRECIOUS METAL COMPOUNDS; REFRACTORY METAL COMPOUNDS; SULFUR COMPOUNDS; TITANIUM COMPOUNDS; TRANSITION METALS;

2S2^2 -/S4^2 - DICHOTOMY; DFT CALCULATION; DISULFIDE BRIDGE; EARLY TRANSITION METALS; ELECTRON CONFIGURATION; ELECTRON INTERACTION; HIGH OXIDATION STATE; QUALITATIVE MO ANALYSIS;

METAL ANALYSIS;

EID: 48849096184     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2008.03.060     Document Type: Article

References (26)

1. Mealli C., Ienco A., Poduska A., and Hoffmann R. Angew. Chem., Int. Ed. 47 (2008) 2864
2. Nishioka T., Kitayama H., Breedlove B.K., Shiomi K., Kinoshita I., and Isobe K. Inorg. Chem. 43 (2004) 5688
3. Isobe K., Ozawa Y., Vazquez de Miguel A., Zhu T.W., Zhao K.M., Nishioka T., Ogura T., and Kitagawa T. Angew. Chem., Int. Ed. 33 (1994) 1882
4. C. Mealli, A. Ienco, A. Poduska, R. Hoffmann, in preparation.
5. Brunner H., Merz A., Pfauntsch J., Serhadli O., Wachter J., and Ziegler M.L. Inorg. Chem. 27 (1988) 2055
6. Ogino H., Tobita H., Inomata S., and Shimoi M. Chem. Commun. (1988) 586
7. York J.T., Brown E.C., and Tolman W.B. Angew. Chem., Int. Ed. 44 (2005) 7745
8. Sarangi R., York J.T., Helton M.E., Fujisawa K., Karlin K.D., Tolman W.B., Hodgson K.O., Hedman B., and Solomon E.I. J. Am. Chem. Soc. 130 (2008) 676
9. Tremel W., Hoffmann R., and Jemmis E.D. Inorg. Chem. 28 (1989) 1213
10. Pleus R.J., Saak W., and Pohl S. Z. Anorg. Allg. Chem. 627 (2001) 250
11. Amarasekera J., Rauchfuss T.B., and Rheingold A.L. Inorg. Chem. 26 (1987) 2017
12. Treichel P.M., Crane R.A., and Haller K.J. Polyhedron 9 (1990) 1893
13. Pasynskii A.A., Grigor'ev V.N., Blokhin A.I., Torubaev I.Yu.V., Lyssenko K.A., and Minin V.V. Russ. J. Inorg. Chem. 50 (2005) 1450
14. Giolando D.M., Rauchfuss T.B., Rheingold A.L., and Wilson A.R. Organometallics 6 (1987) 667
15. Brunner H., Pfauntsch J., Wachter J., Nuber B., and Ziegler M.L. J. Organomet. Chem. 359 (1989) 179
16. Du Bois M.R., Jagirdar B.R., Dietz S., and Noll B.C. Organometallics 16 (1997) 294
17. Brunner H., Meier W., Wachter J., Guggolz E., Zahn T., and Ziegler M.L. Organometallics 1 (1982) 1107
18. Albright T.A., Burdett J.K., and Whangbo M.H. Orbital Interactions in Chemistry (1985), Wiley, New York
19. Hoffmann R. Angew. Chem., Int. Ed. 21 (1982) 711
20. Mealli C., and Proserpio D.M. J. Chem. Educ. 67 (1990) 399
21. C. Mealli, A. Ienco, D.M. Proserpio, Book of Abstracts of the XXXIII ICCC, ICCC, Florence, Italy, 1998, p. 510.
22. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford, CT
23. Becke A.D. J. Chem. Phys. 98 (1993) 5648
24. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1998) 785
25. Dolg M., Stoll H., Preuss H., and Pitzer R.M. J. Phys. Chem. 97 (1993) 5852
26. Hariharan P.C., and Pople J.A. Theor. Chim. Acta 28 (1973) 213