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Conformations and rotational barriers of di- and tetraarylporphyrins; a computational and experimental study

✍ Scribed by Robert Schrijvers; Marinus van Dijk; Georgine M. Sanders; Ernst J. R. Sudhölter

Book ID
104589648
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
374 KB
Volume
113
Category
Article
ISSN
0165-0513

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✦ Synopsis

Abstract

The usefulness of molecular‐mechanics calculations in the study of the conformational properties of several tetraarylporphyrins and diarylporphyrins is demonstrated. Energy‐minimized conformations and rotational barriers of several substituted and unsubstituted arylporphyrins correspond very well with experimental results.

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Nuclear magnetic resonance studies of internal rotation: IV—rotational barriers and conformation of phthalic amides
✍ S. L. Spassov; V. S. Dimitrov; I. Kantschovska 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 258 KB

## Abstract The rotational barriers about the CN bond of the N,N,N′,N′‐tetramethyldiamides of phthalic, isophthalic and terephthalic acids have been determined by the iterative total line shape NMR method. Some evidence about the conformation of these compounds in solution has also been obtained b