Knowledge Bank

Structures for cyclopropane/perylene van der Waals complexes were determined for the 1:1 and 2:1 levels of aggregation. Rotational Coherence Spectroscopy was performed on species red shifted from the perylene origin by 156, 282, 300 and $304cm-1$, showing them to be the 1:1 species and 3 isomers of the 2:1 species respectively. The 1:1 species has the sum of the B and C rotational constants equal to 459 $Mhz\pm 1$. The 2,0 isomer is a near prolate rotor with $B+C=395$ Mhz. The 1,1 isomer at $300cm-1$ shows a strong rotation of the inertial axes with $B+C=368$ Mhz and $A=288$ Mhz. The 1,1 isomer at $304cm-1$ is distinctly different, having no strong axis rotation and B+C = 388 Mhz. An out of plane distance was assumed on the basis of van der Waals radii. Work is presently being done on species red shifted by 422 and $431cm-1$, which are assumed to be the 3:1 species.