Theoretical calculations of product percentage yields for the thermal decomposition of 2-chloro-1,1-difluoroethane

Author:

Beaver Melinda R,Heard George L,Holmes Bert E

Publisher

Elsevier BV

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Reference11 articles.

1. Anomalous elimination of HCl from 2-chloro-1,1-difluoroethane. Likely involvement of a 1,2-FCl interchange mechanism

2. Unimolecular Reaction Kinetics of CF2ClCF2CH3 and CF2ClCF2CD3:  Experimental Evidence for a Novel 1,2-FCl Rearrangement Pathway

3. 1,2-FCl Rearrangement as an Intermediate Step in the Unimolecular 1,3-HCl Elimination from Chlorofluoropropanes

4. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.v

5. Hydrogen fluoride and deuterium fluoride elimination reactions of chemically activated 1,1,1-trideuterio-2,2-difluoroethane, 1,1-difluoroethane, and 1,1,1-trideuterio-2-fluoroethane

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