Lang, Peter F. and Smith, Barry (2015) Single bond length of organic molecules in the solid state. Global Journal of Science Frontier Research: B Chemistry 16 (3), pp. 55-60. ISSN 2249-4626.
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Abstract
This paper discusses in detail the calculation of bond lengths of organic molecules in the solid state. It describes briefly the effect of electronegativity in covalent bond length. A set of single bond covalent radii and electronegativity values are proposed. Covalent bond lengths calculated by a modified form of the soft sphere equation (which calculated internuclear separation of different Group 1 and Group 2 crystalline salts to a remarkable degree of accuracy) show very good agreement with observed values. The results also show that electronegativity is a major influence on covalent bond lengths and the soft sphere model described here can be used to calculate covalent bond lengths of other organic/bio-organic molecules in different environments that have not yet been experimentally measured.
Metadata
| Item Type: | Article |
|---|---|
| Depositing User: | Sarah Hall |
| Date Deposited: | 13 Dec 2022 18:55 |
| Last Modified: | 14 Apr 2025 18:38 |
| URI: | https://eprints.bbk.ac.uk/id/eprint/50222 |
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