2022
DOI: 10.1063/5.0082604
|View full text |Cite
|
Sign up to set email alerts
|

Halogen bonding and rotational disorder in chlorine clathrate hydrate cages

Abstract: We present a detailed theoretical characterization of the structure and interactions in dichlorine clathrate hydrate cages. In the case of the dodecahedral cage there is clear evidence of the presence of halogen bonding whereas in the tetrakaidecahedral the expected signatures are there but in a weaker form. Comparison is made with the available structural data from X-ray experiments, where the rotational motion of the dichlorine has been taken into account through Monte Carlo simulations illustrating delocali… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 30 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?