Issue 40, 2012

Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

Abstract

Intermolecular interactions of the cyclic conjugated molecule (DBA) with hydrogen, nitrogen and carbon dioxide molecules were evaluated by high level ab initio calculations.

Graphical abstract: Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

Supplementary files

Article information

Article type
Communication
Submitted
04 sep 2012
Accepted
05 sep 2012
First published
05 sep 2012

Phys. Chem. Chem. Phys., 2012,14, 13918-13921

Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

I. Hisaki, D. Yasumiya, H. Shigemitsu, S. Tsuzuki, N. Tohnai and M. Miyata, Phys. Chem. Chem. Phys., 2012, 14, 13918 DOI: 10.1039/C2CP43091F

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