Abstract

All molecular configurations differing in the position of hydrogen atoms (protons) in hydrogen bonds and satisfying periodic boundary conditions have been calculated for the unit cells of CS-I, HS-III, and TS-IV gas hydrate frameworks. The configurations obtained are ranged according to the number of stronger trans-configurations of hydrogen-bound molecular pairs and according to the type of spatial symmetry. The configuration symmetry was analyzed taking into account the additional antisymmetry operation, which is related to the change in the direction of all hydrogen bonds. The strong dependence of the framework properties on the specific position of protons in H bonds is established.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.