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

Title
Thermochemistry of (E)- and (Z)-disubstituted alkene species: a combined experimental and theoretical investigation of isomeric dimethyl fumarate and dimethyl maleate
Type
Article in International Scientific Journal
Year
2003
Authors
Matos, MAR
(Author)
FCUP
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Miranda, MS
(Author)
Other
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Morais, VMF
(Author)
ICBAS
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Liebman, JF
(Author)
Other
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Journal
Vol. 1
Pages: 2930-2934
ISSN: 1477-0520
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-000-FHD
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).
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 5
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