Direct Spectroscopic Evidence for an n[arrow right][pi] Interaction

The n[arrow right]π* interaction is an extremely weak but very important noncovalent interaction. Although this interaction is widely present in biomolecules and materials, its existence is counterintuitive and so has been debated extensively. Herein, we have reported direct spectroscopic evidence f...

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Bibliographic Details
Published in:Angewandte Chemie 2016-06, Vol.128 (27), p.7932
Main Authors: Singh, Santosh K, Mishra, Kamal K, Sharma, Neha, Das, Aloke
Format: Article
Language:ger
Subjects:
Chemistry
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Summary:The n[arrow right]π* interaction is an extremely weak but very important noncovalent interaction. Although this interaction is widely present in biomolecules and materials, its existence is counterintuitive and so has been debated extensively. Herein, we have reported direct spectroscopic evidence for an n[arrow right]π* interaction for the first time by probing the carbonyl stretching frequency in phenyl formate using isolated gas-phase IRspectroscopy. This result also demonstrates that the conformational preference for the cisconformer of phenyl formate compared to the transconformer arises due to the presence of the n[arrow right]π* interaction in the former. The direct proof reported herein for this controversial but important noncovalent interaction should stimulate further experimental and theoretical investigation on this intriguing research topic.
ISSN:0044-8249
1521-3757
DOI:10.1002/ange.201511925