Investigation of substituent effect on O-C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles.

Biela, Monika; Kleinová, Andrea; Uhliar, Matej; Klein, Erik

Biela, Monika; Kleinová, Andrea; Uhliar, Matej; Klein, Erik.

Afiliação

Biela M; Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, SK-812 37, Bratislava, Slovakia.
Kleinová A; Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, SK-812 37, Bratislava, Slovakia.
Uhliar M; Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, SK-812 37, Bratislava, Slovakia.
Klein E; Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, SK-812 37, Bratislava, Slovakia. Electronic address: erik.klein@stuba.sk.

J Mol Graph Model ; 122: 108465, 2023 07.

Article em En | MEDLINE | ID: mdl-37062128

Assuntos

Anisóis; Fenóis; Fenóis/química; Água/química; Termodinâmica; Elétrons

Palavras-chave

Bond dissociation enthalpy; Demethylation; Hammett constant; Methoxybenzene; Phenoxy radical; Substituent effect; Thermochemistry

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Fenóis / Anisóis Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Fenóis / Anisóis Idioma: En Ano de publicação: 2023 Tipo de documento: Article