Abstract
Chalcogen and tetrel intermolecular bonding interactions formed between carbonyl sulfide and halide anions have been studied utilizing a combined experimental and theoretical approach. In particular, high-level CCSD(T) energetics and experimental anion photoelectron spectroscopy have been used in order to assign the dominant binding motif exhibited in these complexes. Halide anions solvated by multiple carbonyl sulfide molecules have also been investigated in order to ascertain the effect that additional binding partners has on the strength of the noncovalent interactions. The experimental and computational results support the main binding motif of carbonyl sulfide molecules with halide anions being chalcogen bonding, both in dimer complexes and larger solvated complexes. In addition, comparison between the noncovalent interactions formed by halides with carbon disulfide, carbonyl sulfide, and carbon dioxide allows a deeper understanding of noncovalent binding strength in relation to isoelectronic species.
RAS ID
64664
Document Type
Journal Article
Date of Publication
2023
Funding Information
Australian Research Council / Danmarks Grundforskningsfond / University of Western Australia / Australian Government Research Training Program / Center for Materials Crystallography / Aarhus University in Denmark / Danish National Research Foundation
School
School of Science
Grant Number
ARC Number : LE110100093
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.
Publisher
Wiley
Comments
Haakansson, C. T., Watson, P. D., Corkish, T. R., Robinson, H. T., McKinley, A. J., & Wild, D. A. (2023). Noncovalent chalcogen and tetrel bonding interactions: Spectroscopic study of halide-carbonyl sulfide complexes. Natural Sciences, 3(2), article e20220057. https://doi.org/10.1002/ntls.20220057