Article ID Journal Published Year Pages File Type
5382595 Chemical Physics Letters 2013 4 Pages PDF
Abstract
► Decay constant β of J value was calculated for different lengths of biradicals. ► For phenylene and phenylene ethynylene, β was 0.42 Å−1 and 0.24 Å−1, respectively. ► The same β was obtained for nitronyl nitroxides and verdazyls. ► The obtained βs are in good agreement with the experimental value of conductance.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical investigation of the β value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals
Authors
, , ,