Cation-? interactions of selected alkali metal ions with two benzene rings connected through linear chains, 2018
Alshamrani, Nouf
2010-2019
Quantum chemical calculations at M06-2X/6-311+G(2d,2p) level were employed to examine the structures, dissociation energies and vibrational spectra of complexes formed by Li+, Na+ and K+ with diphenylmethane, 1,2-diphenylethane, 1,3-diphenylpropane, [2.2]paracyclophane and [3.3]paracyclophane molecules. The effect of heteroatom substitution in the connecting chains of 1,3-diphenylpropane and [3.3]paracyclophane molecules on the binding affinity of cations with ligands was also included in this study. The complexes of [3.3] paracyclophane based molecules seem to have weak cation-pi interactions with metal ions Na+ and K+ when they were placed between two rings. The binding affinity of the metal ion varies from the ligands possessing single fusion to double fusion of alkyl chain (or hetero substituted alkyl chain) with two benzene rings. Vibrational frequencies related to metal-ligand stretching, C-H, N-H and P-H stretching are useful to characterize the complexes with different metal ions and their positional preference. KEY TERMS: Chemistry Science, Physical Chemistry
text
application/pdf
2018-08-08
thesis
Master of Science (MS)
Clark Atlanta University
Chemistry
Tandabany, Dinadayalane Parker, Cass D. Hall, John
Georgia--Atlanta
http://hdl.handle.net/20.500.12322/cau.td:2018_alshamrani_nouf
