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Conformational preference of substituted naphthalenes 3—derivatives of methoxy‐ and acetyl‐naphthalene
Author(s) -
Salman Salman R.
Publication year - 1985
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260230214
Subject(s) - chemistry , cndo/2 , naphthalene , coupling constant , proton , computational chemistry , ring (chemistry) , molecular orbital , stereochemistry , molecule , organic chemistry , physics , particle physics , quantum mechanics
Proximate coupling between methyl and ring protons is used to deduce the conformational preference of 1‐methoxynaphthalene (1), 2‐methoxynaphthalene (2) and 1‐acetylnaphthalene (3). Molecular orbital calculations at the CNDO/2 and INDO levels are used to calculate the energy and proton‐proton coupling constants in 1, 2 and 3.
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