Carbonmonoxy Myoglobin Vibrational Frequency InvestigationCarbonmonoxy Myoglobin Vibrational Frequency Investigation

Authors

Christopher Lawrence, Grand Valley State UniversityFollow
Michael Esch

Department

Chemistry Department

College

College of Liberal Arts and Sciences

Date Range

2014-2015

Disciplines

Physical Sciences and Mathematics

Abstract

A computational study of the vibrational frequency of carbon monoxide bound to myoglobin has been resumed with a new approach. Previously, the carbon monoxide vibration had been considered a local vibrational mode where only the oxygen oscillates along the bond and the carbons position is fixed. New calculations now show that the vibration is more accurately represented by a normal mode where both the carbon and oxygen are oscillating along the bond. Quantum mechanical calculations are being performed in order to characterize the vibration and relate it to other parameters, which can be used to generate a classical mechanical simulation of carbonmonoxy myoglobin.

Conference Name

Midwest Undergraduate Computational Chemistry Conference

Conference Location

Ames, IA

ScholarWorks Citation

Lawrence, Christopher and Esch, Michael, "Carbonmonoxy Myoglobin Vibrational Frequency InvestigationCarbonmonoxy Myoglobin Vibrational Frequency Investigation" (2015). Faculty Scholarly Dissemination Grants. 540.
https://scholarworks.gvsu.edu/fsdg/540