Calculate the Coulombic (ionic) interaction energy between atoms for the C=O ∙∙∙H-N hydrogen bond in a peptide at a distance of 1.5Å in units of kJ/mol. Assume that the partial charge on O is −0.434, the partial charge on H is +0.417 and the permittivity of the protein environment is 6.

Calculate the Coulombic (ionic) interaction energy between atoms for the C=O ∙∙∙H-N hydrogen bond in a peptide at a distance of 1.5Å in units of kJ/mol. Assume that the partial charge on O is −0.434, the partial charge on H is +0.417 and the permittivity of the protein environment is 6.

Principles of Modern Chemistry

8th Edition

ISBN:9781305079113

Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Chapter23: Polymeric Materials And Soft Condensed Matter

Section: Chapter Questions

Problem 20P

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Question

1. Calculate the Coulombic (ionic) interaction energy between atoms for the C=O ∙∙∙H-N hydrogen bond in a peptide at a distance of 1.5Å in units of kJ/mol. Assume that the partial charge on O is −0.434, the partial charge on H is +0.417 and the permittivity of the protein environment is 6.

2. The dipole moment of an individual peptide group is approximately 3.46 D. Assuming that the dipoles line up linearly estimate the energy of interaction (in kJ.mol) of the hydrogen bond in Q1 using a dipole-dipole model.

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