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Self-consistent perturbation theory calculations of nuclear spin coupling constants in thiophenes

✍ Scribed by V. Galasso

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 198 KB
Volume: 21
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)80012-0

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✦ Synopsis

The rmg proton-proton couplmg constants of thlophene and 14 monosubstltuted derrvatwes have been calculated usmg the perturbed SCF INDO method The results reproduce satlsfactorlly signs, magmtudes and some trends of the experunental values, but the mternal order of long-range constants In the 3-substltuteci thlophenes IS not rcfleeted

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