Hydrogen bond cooperativity and anticooperativity within the water hexamer

Author:

Guevara-Vela José Manuel1234,Romero-Montalvo Eduardo56789,Mora Gómez Víctor Arturo56789,Chávez-Calvillo Rodrigo106789,García-Revilla Marco1112131415,Francisco Evelio1234,Pendás Ángel Martín1234,Rocha-Rinza Tomás56789

Affiliation:

1. Department of Physical and Analytical Chemistry

2. University of Oviedo

3. Oviedo

4. Spain

5. Institute of Chemistry

6. National Autonomous University of Mexico

7. Circuito Exterior

8. Ciudad Universitaria

9. Mexico City

10. School of Chemistry

11. Department of Chemistry

12. Division of Natural and Exact Sciences

13. University of Guanajuato

14. Guanajuato

15. Mexico

Abstract

We propose a hierarchy of H-bond strength in terms of the single and double character of the involved donor and acceptors within different structures of (H2O)6.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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