Issue 40, 2012
From the journal:

Physical Chemistry Chemical Physics

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

Ichiro Hisaki,*a   Daisuke Yasumiya,a   Hajime Shigemitsu,a   Seiji Tsuzuki,*b   Norimitsu Tohnaiac  and  Mikiji Miyata*a  

* Corresponding authors

a Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Japan
E-mail: hisaki@mls.eng.osaka-u.ac.jp, miyata@mls.eng.osaka-u.ac.jp
Fax: +81 6-6879-7406
Tel: +81 6-6879-7406

b National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan
E-mail: s.tsuzuki@aist.go.jp
Fax: +81 29-851-5426
Tel: +81 29-851-5426

c PRESTO Japan Science and Technology Agency (JST), Japan

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?

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Article information

DOI
https://doi.org/10.1039/C2CP43091F
Article type
Communication
Submitted
04 Ndz 2012
Accepted
05 Ndz 2012
First published
05 Ndz 2012

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

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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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