Computational study of the thermal rearrangement of acetoxy(methoxy)carbene

Journal of Physical Organic Chemistry

Volumn 18, Issue 6, 2005, Pages 486-490

  Czardybon, Wojciech ^a   Warkentin, John ^a   Werstiuk, Nick Henry ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

Acetoxy(methoxy)carbene; Carbene; Computation; Concerted; Rearrangement

Indexed keywords

ACTIVATION ENERGY; AMINES; CALCULATIONS; CONCENTRATION (PROCESS); CONFORMATIONS; DERIVATIVES; SURFACE PHENOMENA;

ACETOXY(METHOXY)CARBENE; CARBENE; CONCERTED; REARRANGEMENT;

THERMOANALYSIS;

EID: 18844380236     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.899     Document Type: Article

References (11)

1. Czardybon W, Klys A, Warkentin J, Werstiuk NH. Can. J. Chem. 2003; 81: 1438.
2. Brown RFC, Eastwood FW, Lim ST, McMullen GL. Aust. J. Chem. 1976; 29: 1705.
3. Moss RA, Xue S, Ma W, Ma H. Tetrahedron Lett. 1997; 38: 4379.
4. Moss RA, Merrer DC. Tetrahedron Lett. 1998; 39: 8067.
5. Merkley N, Warkentin J. Can. J. Chem. 2002; 80: 1187.
6. Venneri PC, Warkentin J. J. Am. Chem. Soc. 1998; 120: 11182.
7. (a) Merkley N, El-Saidi M, Warkentin J. Can. J. Chem. 2000; 78: 356;
8. (b) Merkley N, Warkentin J. Can. J. Chem. 2000; 78: 942.
9. Perdew JP, Wang Y. Phys. Rev. B 1992; 45: 13244.
10. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, M. Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98. Gaussian: Pittsburgh, PA, 1998.
11. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Kiene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA. Gaussian 03. Gaussian: Pittsburgh, PA, 2003.