Abstract
Background: Most heavy metals from industrial catalysts are harmful to human body; however, to function normally, the human body does need traces of essential metal cofactors. Histidine is one of the nine essential amino acids to the human body, and cobalt(II) ion is cost effective and is known to be less toxic to the body. Methods: This project investigates the binding reactions between the cobalt(II) ion and histidine amino acids. Due to unsuccessful attempts to crystalize Cobalt(II)-Histidine complex in the lab, the quantum mechanics modeling package, G09, was employed to provide the binding mode and interaction between the metal and histidine complex. Geometric parameters were attained in order to predict the crystal structure the complex. Results: The data confirms that complexes between cobalt ions and deprotonated histidine will only settle into a square planar geometry, regardless of the initial geometry. However, with neutral histidine, the complex is not in square planar formation at all. Instead, the five-member ring formed among cobalt and histidine’s N- and C-terminus forms an angle, where N-Co-N is almost linear (167.5°). Conclusion: Different reaction conditions will yield either tetrahedral and square planar geometry at the metal center, which will influence the band gap. Such influence can then be used to create a tunable and broadspectrum solar panel materials.
Recommended Citation
Cromer, A., Moumbogno, F., Colbie, T., Parker, N., Wang, S., Wu, H., & Fan, H. J. (2016). Square or not Square--That’s the Question!. Pursue: Undergraduate Research Journal, 1(1). Retrieved from https://digitalcommons.pvamu.edu/pursue/vol1/iss1/1