Correlation between the carbon K-shell X-ray emission rates in molecules and their π bond order

Abstract

For the first time, a clear correlation is shown between carbon K-shell X-ray emission rates from molecules that contain carbon (C) atoms and their π bond orders. This correlation is based on the present calculation for C 2H 2, C 2H 4, and C 2H 6 and previous calculations of Larkins for CO, CO 2, HCN, and CH 3OH. Because the π bond order has an inverse linear relationship with the bond length, the C K-shell X-ray emission rate correlates with the bond length as well. Some rationale for the findings based on electronegativity and charge distribution, is given, The correlation manifests itself in a chemical effect on the C K-shell X-ray emission rate.