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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.
Peter F. Lang, Barry C. Smith. 2016. "Single Bond Lengths of Organic Molecules in the Solid State". Global Journal of Science Frontier Research - B: Chemistry GJSFR-B Volume 16 (GJSFR Volume 16 Issue B3).
Crossref Journal DOI 10.17406/GJSFR
Print ISSN 0975-5896
e-ISSN 2249-4626
v1.2
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Total Score: 176
Country: United Kingdom
Subject: Global Journal of Science Frontier Research
Authors: Peter F. Lang, Barry C. Smith (PhD/Dr. count: 0)
View Count (all-time): 351
Total Views (Real + Logic): 1596
Total Downloads (simulated): 144
Publish Date: 2016 12, Fri
Monthly Totals (Real + Logic):
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