Thermochemistry of (E)- and (Z)-disubstituted alkene species: a combined experimental and theoretical investigation of isomeric dimethyl fumarate and dimethyl maleate

• Tipo: Artigo em Revista Científica Internacional
• Data: 2003

Autores

Matos, MAR (Autor) FCUP; Miranda, MS (Autor) Outra; Morais, VMF (Autor) ICBAS; Liebman, JF (Autor) Outra

Revista

Título: Organic and Biomolecular Chemistry

Vol. 1

Páginas: 2930-2934

ISSN: 1477-0520

Editora: Royal Society of Chemistry

Indexação

ISI Web of Knowledge - 4 Citações

Scopus - 4 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-000-FHD

DOI: 10.1039/b303276k

Abstract (EN): The first unequivocal thermochemical/calorimetric determination of the enthalpies of combustion, phase change, and formation of a pair of (E)- and (Z)-disubstituted olefins of the type XCH=CHX, where X is an electron withdrawing group, is reported in this paper for the isomeric species dimethyl fumarate and dimethyl maleate (X = COOCH3). The corresponding density functional calculations, corrected for vibrational and thermal effects, confirm that the former isomer is more stable by some 30 kJ mol(-1).

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 5