ISSN:
1432-2234
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract An ab initio MO study, using medium size Gaussian basis sets has been made of vinylidene carbene, acetylene and the isomeric cyclic intermediate presumed to represent the transition state of their interconversion reaction, along with their perfluorinated analogs. The total energies of the acetylenes are lower than the vinylidenes and the estimated activation energy of their interconversion is considerably higher for the fluorinated molecules. The results are in line with experimental observations.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00529441
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