Single Bond Lengths of Organic Molecules in the Solid State

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Peter F. Lang
Peter F. Lang
2
Barry C. Smith
Barry C. Smith
1 University of London

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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.

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No external funding was declared for this work.

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The authors declare no conflict of interest.

Ethical Approval

No ethics committee approval was required for this article type.

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Not applicable for this article.

Peter F. Lang. 2016. \u201cSingle Bond Lengths of Organic Molecules in the Solid State\u201d. Global Journal of Science Frontier Research - B: Chemistry GJSFR-B Volume 16 (GJSFR Volume 16 Issue B3): .

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GJSFR Volume 16 Issue B3
Pg. 55- 60
Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

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GJSFR-B Classification: FOR Code: 030599
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v1.2

Issue date

October 12, 2016

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English

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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.

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Single Bond Lengths of Organic Molecules in the Solid State

Peter F. Lang
Peter F. Lang University of London
Barry C. Smith
Barry C. Smith

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