Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions

Author:

Roy Sourav12345,Drew Michael G. B.6789,Bauzá Antonio10111213ORCID,Frontera Antonio10111213ORCID,Chattopadhyay Shouvik12345ORCID

Affiliation:

1. Department of Chemistry

2. Inorganic Section

3. Jadavpur University

4. Kolkata – 700032

5. India

6. School of Chemistry

7. The University of Reading

8. Reading RG6 6AD

9. UK

10. Departamento de Química

11. Universitat de les Illes Balears

12. 07122 Palma

13. Spain

Abstract

The energetic features of dimer formation and water encapsulation in an interesting copper(ii) Schiff base complex, [(CuL)2⊂(H2O)][Cu21,3-NCS)2(NCS)2], have been studied using DFT calculations.

Funder

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

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