Ontology highlight
ABSTRACT:
SUBMITTER: Li R
PROVIDER: S-EPMC8412933 | biostudies-literature | 2021 Aug
REPOSITORIES: biostudies-literature
Li Rui R Du Tianshu T Liu Jingxing J Aquino Adelia J A AJA Zhang Jianyu J
ACS omega 20210819 34
Understanding ubiquitous methyl transfer reactions requires a systematic study of thermodynamical parameters that could reveal valuable information about the nature of the chemical bond and the feasibility of those processes. In the present study, the O-CH<sub>3</sub> bond dissociation enthalpies (BDEs) of 67 compounds belonging to phenol/anisole systems were calculated employing the Gaussian-4 (G4) method. Those compounds contain different substituents including alkyl groups, electron-donating ...[more]