Unprecedented formal '2+2' addition of allene to CO2 promoted by [RhCl(C2H4)(PiPr3)]2: Direct synthesis of the four membered lactone α-methylene-β- oxiethanone. The intermediacy of [RhH2Cl(PiPr 3)]2: Theoretical aspects and experiments

Inorganica Chimica Acta

Volumn 334, Issue , 2002, Pages 294-300

  Aresta, Michele ^a   Dibenedetto, Angela ^a   Papai, Imre ^b   Schubert, Gabor ^b  

^a UNIVERSITY OF BARI   (Italy)

^b CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Allene; Carbon dioxide; Co oligomerization; Homo oligomerization; Rh hydrides

Indexed keywords

CARBON DIOXIDE; CATALYSTS; CHLORINE COMPOUNDS; ESTERS; HYDRIDES; HYDROCARBONS; OLIGOMERIZATION; OLIGOMERS;

ALLENE; DIRECT SYNTHESIS; HYDRIDE SPECIES; PRODUCTS DISTRIBUTIONS; REACTION SYSTEM; TEMPERATURE AND PRESSURES; THEORETICAL ASPECTS; THEORETICAL STUDY;

RHODIUM COMPOUNDS;

ALLENE DERIVATIVE; ALPHA METHYLENE BETA OXIETHANONE; CARBON DIOXIDE; HYDROGEN; LACTONE DERIVATIVE; RHODIUM DERIVATIVE; UNCLASSIFIED DRUG;

ADDITION REACTION; ARTICLE; CATALYST; CHEMICAL ANALYSIS; OLIGOMERIZATION; REACTION ANALYSIS; TEMPERATURE DEPENDENCE;

EID: 1842431063     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(02)00745-4     Document Type: Article

References (28)

1. Rabalais J.W., McDonald J.M., Scherr V., McGlynn S.P. Chem. Rev. 71:1971;73.
2. Döhring A., Jolly P.W. Tetrahedron Lett. 21:1980;3021.
3. Sasaki Y. J. Mol. Cat. 54:1989;L9.
4. Aresta M., Quaranta E., Ciccarese A. C1 Mol. Chem. 1:1985;283.
5. Aresta M., Albano P. J. Organomet. Chem. 190:1980;243.
6. Adam W., Hasemann L. Angew. Chem., Int. Ed. Engl. 27:1988;1536.
7. Hoover F.W., Lindsey R.V. J. Org. Chem. 34:1969;3051.
8. Benson R.E., Lindsey R.V. J. Am. Chem. Soc. 81:1959;4247.
9. Jones F.N., Lindsey R.V. J. Am. Chem. Soc. 33:1968;3838.
10. S. Otsuka, A. Nakamura, H. Minamida, Chem. Commun. (1969) 191.
11. J.P. Scholten, H.J. Van Der Ploeg, Tetrahedron Lett. (1972) 1685.
12. Aresta M., Albano P., Manassero M. Inorg. Chem. 19:1980;1069.
13. Aresta M., Quaranta E., Tommasi I. Gazz. Chim. Ital. 123:1993;271.
14. M. Aresta, E. Quaranta, V. Alba, Euro-Hydrides 2000, 6-9 September 2000, Université de Bourgogne, Dijon, France, Book of Abstract, p. 1.
15. E. Quaranta et al., forthcoming paper.
16. Werner H., Feser R. J. Organomet. Chem. 232:1982;351.
17. Werner H., Schafer M., Nurnberg O., Wolf J. Chem. Ber. 127:1994;27.
18. M. Capone, Doctor Thesis, University of Bari, 1996.
19. B3LYP refers to the applied hybrid type exchange correlation potential [18], while SDD denotes basis sets from the Stuttgart-Dresden ECP suite for Rh [19], and Dunning's full double-zeta basis sets [20] augmented with polarization functions [21] for H, P and Cl atoms.
20. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople, GAUSSIAN98, Revision A.9, Gaussian, Inc., Pittsburgh, PA, 1998.
21. Becke A.D. J. Chem. Phys. 98:1993;5648.
22. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
23. Dolg M., Stoll H., Preuss H., Pitzer R.M. J. Phys. Chem. 97:1993;5852.
24. Dunning T.H. J. Chem. Phys. 53:1970;2823.
25. Dunning T.H., Hay P.J. Schaefer H.F. III. Methods of Electronic Structure Theory. 3:1977;Plenum Press.
26. Magnusson E., Schaefer H.F. III. J. Chem. Phys. 83:1985;5721.
27. M. Aresta et al., forthcoming paper.
28. Dobrowolski J.C., Jamroz M.H., Borowiak M.A., Quaranta E., Aresta M. Vibr. Spectrosc. 22:2000;19.