Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies
Abstract
:1. Introduction
2. Results and Discussion
2.1. Description of the X-ray Structures
2.2. Theoretical DFT Study
2.2.1. Molecular Electrostatic Potential (MEP) Study
2.2.2. X-ray vs. Optimized Geometries
2.2.3. Energetic and NCIplot Analyses
2.2.4. NBO Analysis
3. Materials and Methods
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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Gomila, R.M.; Frontera, A. Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies. Molecules 2022, 27, 6597. https://doi.org/10.3390/molecules27196597
Gomila RM, Frontera A. Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies. Molecules. 2022; 27(19):6597. https://doi.org/10.3390/molecules27196597
Chicago/Turabian StyleGomila, Rosa M., and Antonio Frontera. 2022. "Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies" Molecules 27, no. 19: 6597. https://doi.org/10.3390/molecules27196597