Formation of large clusters of CO2 around anions: DFT study reveals cooperative CO2 adsorption

Author:

Anila Sebastian12345,Suresh Cherumuttathu H.12345ORCID

Affiliation:

1. Chemical Sciences and Technology Division

2. CSIR-National Institute for Interdisciplinary Science and Technology

3. Thiruvananthapuram

4. India

5. Academy of Scientific and Innovative Research (AcSIR)

Abstract

The cooperative O⋯C secondary interactions compensate for the diminishing effect of primary anion⋯C interactions in anionic clusters of CO2 molecules.

Funder

University Grants Commission

Science and Engineering Research Board

National Institute for Interdisciplinary Science and Technology

Council of Scientific and Industrial Research, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference91 articles.

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2. R. E. Hester and R. M.Harrison , Carbon capture: sequestration and storage , Royal Society of Chemistry , 2010

3. State-of-the-Art of CO2Capture with Ionic Liquids

4. I. C. Change , The Assessment Report , 2013

5. The interaction of negative charge with carbon dioxide – insight into solvation, speciation and reductive activation from cluster studies

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