Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis

Author:

Nunzi Francesca12342ORCID,Cesario Diego12356,Belpassi Leonardo423ORCID,Tarantelli Francesco12342ORCID,Roncaratti Luiz F.78910,Falcinelli Stefano11123ORCID,Cappelletti David123ORCID,Pirani Fernando123ORCID

Affiliation:

1. Dipartimento di Chimica, Biologia e Biotecnologie

2. I-06123 Perugia

3. Italy

4. Istituto di Scienze e Tecnologie Molecolari del CNR (ISTM-CNR)

5. Department of Chemistry and Pharmaceutical Sciences and Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam

6. 1081 HV Amsterdam

7. Instituto de Física

8. Universidade de Brasília

9. Brasilia

10. Brazil

11. Dipartimento di Ingegneria Civile ed Ambientale, Università degli Studi di Perugia

12. 06215 Perugia

Abstract

A weak halogen bond, together with charge transfer from a noble gas to Cl2, characterizes the intermolecular interaction between a noble gas atom and Cl2 in a collinear configuration.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Università degli Studi di Perugia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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