Physical Sciences and Mathematics Commons^™

Structure And Phase Transitions Of The 6, 6-Cyclopropane Isomer Of C_ {61} H_ {2}, M. R. Stetzer, Paul A. Heiney, Peter W. Stephens, R. E. Dinnebier, Q. Zhu, Andrew R. Mcghie, Robert M. Strongin, B. M. Brandt, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

We have used x-ray powder diffraction and differential scanning calorimetry to study the crystalline structures and thermal behavior of the 6,6-cyclopropane isomer of C₆₁H₂. At room temperature, the C₆₁H₂ cyclopropane molecules, like those of the 6,5-annulene isomer and C₆₀O epoxide, are orientationally disordered and crystallize on a face-centered-cubic lattice such that their methylene groups are statistically disordered among the octahedral voids. Unlike 6,5−C₆₁H₂ and C₆₀O, the low-temperature structure is not Pa3¯, but rather a low-symmetry orthorhombic lattice in which a≈b