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THERMOCHEMICAL AND THEORETICAL-STUDIES OF SOME BIPYRIDINES

Title
THERMOCHEMICAL AND THEORETICAL-STUDIES OF SOME BIPYRIDINES
Type
Article in International Scientific Journal
Year
1995
Authors
DASILVA, MAVR
(Author)
FCUP
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MORAIS, VMF
(Author)
ICBAS
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MATOS, MAR
(Author)
FCUP
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RIO, CMA
(Author)
Other
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Journal
Vol. 60
Pages: 5291-5294
ISSN: 0022-3263
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-001-GFT
Abstract (EN): The following standard molar enthalpies of formation in the gaseous state at 298.15 K were determined from the enthalpies of combustion of the crystalline solids and the respective enthalpies of sublimation: 2,2'-bipyridine, 267.9 +/- 3.0 kJ mol(-1); 2,4'-bipyridine, 284.2 +/- 2.7 kJ mol(-1); 4,4'-bipyridine, 293.1 +/- 3.6 kJ mol(-1). Ab initio geometry optimizations of these molecules at the 3-21G level suggest that those with at least one ortho nitrogen atom assume near planar conformations preferentially, while the others have nonplanar most stable forms.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 4
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