Reactivity of the M-(η2-alkyne) bond [M = Cr, W]: A kinetic and DFT study

Journal of Organometallic Chemistry

Volumn 695, Issue 6, 2010, Pages 891-897

  Swennenhuis, Bert H G ^a   Benjamin Cieslinski, G ^a   Brothers, Edward N ^a   Bengali, Ashfaq A ^a  

^a TEXAS A AND M UNIVERSITY AT QATAR   (Qatar)

Author keywords

Flash photolysis; Kinetics; Photochemistry

Indexed keywords

1-HEXYNE; 2-PICOLINE; ALKYNE LIGANDS; ASSOCIATIVE MECHANISMS; BOND DISSOCIATION ENTHALPIES; BOND STRENGTH; CR SYSTEM; DFT CALCULATION; DFT STUDY; DISSOCIATIVE MECHANISMS; FLASH PHOTOLYSIS; KINETIC ANALYSIS; METAL CENTERS;

CHEMICAL BONDS; CHROMIUM; PHOTODISSOCIATION; PHOTOLYSIS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

ACETYLENE;

EID: 76749165761     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2010.01.014     Document Type: Article

References (34)

1. Crabtree R.H. The Organometallic Chemistry of Transition Metals. third ed. (2001), Wiley Interscience pp. 222-226
2. Simon J.D., and Xie X.L. J. Phys. Chem. 91 (1986) 6751
3. Simon J.D., and Xie X.L. J. Phys. Chem. 91 (1987) 5538
4. Simon J.D., and Xie X.L. J. Am. Chem. Soc. 112 (1990) 1130
5. Bonneau R.J., and Kelly J.M. J. Am. Chem. Soc. 102 (1980) 1220
6. Wieland S., and van Eldik R. Organometallics 10 (1991) 3110
7. Hall C., and Perutz R.N. Chem. Rev. 96 (1996) 3125
8. Zhang S., Dobson G.R., Zang V., Bajaj H.C., and van Eldik R. Inorg. Chem. 29 (1990) 3477
9. Hayes D.M., and Weitz E. J. Phys. Chem. 95 (1991) 2723
10. Szymanska-Buzar T. J. Mol. Catal. 48 (1988) 43
11. Szymanska-Buzar T. J. Mol. Catal. 93 (1994) 137
12. Bruce M.I. Chem. Rev. 91 (1991) 197
13. Fischer H., Volkland H.-P., Fruh A., and Stumpf R. J. Organomet. Chem. 491 (1995) 267
14. Landon S.J., Shulman P.M., and Geoffroy G.I. J. Am. Chem. Soc. 107 (1985) 6739
15. Shanoski J.E., Payne C.K., Kling M.F., Glascoe E.A., and Harris C.B. Organometallics 24 (2005) 1852
16. Szymanska-Buzar T., Downs A.J., Greene T.M., and Marshall A.S. J. Organomet. Chem. 495 (1995) 163
17. Szymanska-Buzar T., and Kern K. J. Organomet. Chem. 622 (2001) 74
18. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Scalmani G., Barone V., Mennucci B., Petersson G.A., Nakatsuji H., Caricato M., Li X., Hratchian H.P., Izmaylov A.F., Bloino J., Zheng G., Sonnenberg J.L., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Vreven T., Montgomery Jr. J.A., Peralta J.E., Ogliaro F., Bearpark M., Heyd J.J., Brothers E., Kudin K.N., Staroverov V.N., Kobayashi R., Normand J., Raghavachari K., Rendell A., Burant J.C., Iyengar S.S., Tomasi J., Cossi M., Rega N., Millam J.M., Klene M., Knox J.E., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Martin R.L., Morokuma K., Zakrzewski V.G., Voth G.A., Salvador P., Dannenberg J.J., Dapprich S., Parandekar P.V., Mayhall N.J., Daniels A.D., Farkas O., Foresman J.B., Ortiz J.V., Cioslowski J., and Fox D.J. Gaussian Development Version, Revision H.01 (2009), Gaussian, Inc., Wallingford, CT
19. Tao J.M., Perdew J.P., Staroverov V.N., and Scuseria G.E. Phys. Rev. Lett. 91 (2003) 146401
20. Dunning Jr. T.H., and Hay P.J. In: Schaefer III H.F. (Ed). Modern Theoretical Chemistry (1976), Plenum, New York 1-28
21. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
22. Wadt W.R., and Hay P.J. J. Chem. Phys. 82 (1985) 284
23. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
24. Cedeno D.L., and Weitz E. J. Am. Chem. Soc. 123 (2001) 12857
25. Zhang S., and Dobson G.R. Organometallics 11 (1992) 2447
26. Zhang S., Zang V., Bajaj H.C., Dobson G.R., and van Eldik R. J. Organomet. Chem. 397 (1990) 279
27. Bengali A.A., and Grunbeck A.R. Organometallics 24 (2005) 5919
28. Strohmeier W., and Hellmann H. Chem. Ber. 98 (1965) 1598
29. Connelly N.G., and Johnson G.A. J. Organomet. Chem. 77 (1974) 341
30. Strohmeier W., and Hellmann H. Chem. Ber. 96 (1963) 2859
31. Stolz I.W., Dobson G.R., and Sheline R.K. Inorg. Chem. 2 (1963) 1264
32. Nechaev M.S., Rayon V.M., and Frenking G. J. Phys. Chem. 108 (2004) 3134
33. prep.
34. Abd-Elzaher M.M., and Fischer H. J. Organomet. Chem. 588 (1999) 235