Single Bond Lengths of Organic Molecules in the Solid State

Peter F. Lang; Barry C. Smith

Authors

Peter F. Lang
Barry C. Smith

covalent bond, organic compounds, solid state, bond length calculation, electronegativity, covalent radii

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.

Downloads

How to Cite

Single Bond Lengths of Organic Molecules in the Solid State. (2016). Global Journal of Science Frontier Research, 16(B3), 55-60. https://www.journalofscience.org/index.php/GJSFR/article/view/1897

Download Citation

References

Beatriz Cordero, Verónica Gómez, Ana Platero-Prats, Marc Revés, Jorge Echeverría, Eduard Cremades, Flavia Barragán, Santiago Alvarez (2008) Covalent radii revisited. 21(21), 2832.

P Pykko, M Atsumi (2009) Unknown Title. 15, 186-197.

V Schomaker, D Stevenson (1941) Unknown Title. 63, 37-40.

D Adams (1974) Inorganic Solids. 35-37.

P Lang, B Smith (2010) Unknown Title. 39, 7786-7791.

G Herzberg (1950) Molecular Spectra and Molecular Structure I Spectra of Diatomic Molecules. 501-581.

K Huber, G Herzberg (1979) Molecular Spectra and Molecular Structure IV Constants of Diatomic Molecules. 7-689.

(2008) CRC Handbook of Chemistry and Physics, 88th ed Editor-in-Chief: David R. Lide (National Institute of Standards and Technology) CRC Press/Taylor & Francis Group: Boca Raton, FL. 2007. 2640 pp. $139.95. ISBN 0-8493-0488-1.. 130(1), 382-382.

P Lang, B Smith (2003) Unknown Title. 80, 938-946.

Peter Lang, Barry Smith (2010) Ionization Energies of Lanthanides. 87(8), 875-881.

J Donnary, H Ondik (1973) National standard reference data program:. 1.

Crystal Data Determinative Tables.

(1978) National Bureau of Standards and Joint Committee on Powder Diffraction Standards. 3.

Peter Lang, Barry Smith (2014) Electronegativity effects and single covalent bond lengths of molecules in the gas phase. 43(21), 8016-8025.

Peter Lang, Barry Smith (2015) An equation to calculate internuclear distances of covalent, ionic and metallic lattices. 17(5), 3355-3369.

R Twyman (2001) The cell division cycle. 95-99.

H Johnson, B Everitt (2000) Essential Reporduction. 47-48.

N Carlson (2014) Physiology of Behavior. 11.

Erika Davies, Karin Müller, Wai Wong, Chris Pickard, David Reid, Jeremy Skepper, Melinda Duer (2014) Citrate bridges between mineral platelets in bone. 111(14), 1354.

P Lang (1984) CHAPTER 1: Introduction 1.

J Martin (2010) British National Formulary. 631-632.