Thermochemical properties, rotation barriers, bond energies, and group additivity for Vinyl, Phenyl, Ethynyl, and Allyl peroxides

Document Type

Article

Publication Date

10-7-2004

Abstract

The thermochemical properties of peroxides were determined to compare their values with the values of corresponding hydroperoxides. Standard enthalpies of formation using the density functional theory and isodesmic reactions were also calculated. Rotational barrier potentials were reported for internal rotors in vinyl peroxides and methyl-substituted vinyl peroxides. A uniformity in property trends of the peroxides and their corresponding hydroperoxides was found when their thermodynamic properties were compared.

Identifier

6344289542 (Scopus)

Publication Title

Journal of Physical Chemistry A

External Full Text Location

https://doi.org/10.1021/jp031067m

ISSN

10895639

First Page

8353

Last Page

8366

Issue

40

Volume

108

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