Nonlinear optical study of the five IPR isomers of C78 generated by capping C72 through C6

Abstract

An excellent connection exists between pyramidalized angles ( p ) and the static third-order polarizability (γ ) for the five C 78 isolated pentagon rule (IPR) isomers. On the other hand, the C 72 isomers generated on the way to constructing C 78 through the circumscribe algorithm are found to have a poor correlation between γ and p . However, the change in the γ values from C 72 to C 78 could well be correlated with a more involved local parameter like the capped angles.