Issue 9, 2010
From the journal:

New Journal of Chemistry

Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

Arindam Chakraborty,a   Santanab Giria  and  Pratim Kumar Chattaraj*a  

* Corresponding authors

a Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, India
E-mail: pkc@chem.iitkgp.ernet.in

Abstract

The stability, reactivity and aromaticity of clusters of various noble gas atoms trapped in aromatic H3+ and Li3+ rings are studied at the B3LYP/6-311+G(d) and MP2/6-311+G(d) levels of theory. Electrophilicity, a gain in energy and nucleus-independent chemical shift values lend additional insights into the overall behavior of these clusters.

Graphical abstract: Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

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Article information

DOI
https://doi.org/10.1039/C0NJ00040J
Article type
Paper
Submitted
19 Jan 2010
Accepted
26 Mar 2010
First published
18 May 2010

New J. Chem., 2010,34, 1936-1945

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Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

A. Chakraborty, S. Giri and P. K. Chattaraj, New J. Chem., 2010, 34, 1936 DOI: 10.1039/C0NJ00040J

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