Single Bond Lengths of Organic Molecules in the Solid State

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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.

References

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Funding

No external funding was declared for this work.

Conflict of Interest

The authors declare no conflict of interest.

Ethical Approval

No ethics committee approval was required for this article type.

Data Availability

Not applicable for this article.

How to Cite This Article

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).

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Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

Keywords
Classification
GJSFR-B Classification FOR Code: 030599
Version of record

v1.2

Issue date
October 12, 2016

Language
English
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Single Bond Lengths of Organic Molecules in the Solid State

Peter Lang
Peter Lang University of London
Barry Smith
Barry Smith