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Rotational barriers of amides and polyisocyanates: A spin-coupled study

✍ Scribed by Guido Raos; Pietro Bielli; Elena Tornaghi

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 307 KB
Volume: 74
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)74:2<249::aid-qua20>3.0.co;2-9

No coin nor oath required. For personal study only.

✦ Synopsis

The spin-coupled method has been applied to the study of the rotational barriers of dimethylacetamide and of 1-acetyl-1,3,3-trimethylurea-a model compound for polyisocyanates. A significant amount of nitrogen lone-pair stabilization, achieved by delocalization toward the neighboring carbonyls, is shown to be present in all conformational minima and transition states of the latter. This explains the observed lowering of the C-N torsional barrier, on passing from amides to polyisocyanates.

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