Structure and Phase Transitions of the 6, 6-Cyclopropane Isomer of C_ {61} H_ {2}

Authors

M. R. Stetzer, University of Pennsylvania
Paul A. Heiney, University of Pennsylvania
Peter W. Stephens, State University of New York at Stony Brook
R. E. Dinnebier, State University of New York at Stony Brook
Q. Zhu, Brookhaven National LaboratoryFollow
Andrew R. McGhie, University of PennsylvaniaFollow
Robert M. Strongin, Portland State UniversityFollow
B. M. Brandt, University of Pennsylvania
Amos B. Smith III, University of PennsylvaniaFollow

Published In

Physical Review B

Document Type

Article

Publication Date

10-2000

Subjects

Phase transformations (Statistical physics), X-ray diffraction, Calorimetry, Isomers -- Structure, Cycloalkanes -- Structure -- Analysis, Crystal lattices

Abstract

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

Description

Article appears in Physical Review B (http://prb.aps.org/) and is copyrighted by APS Journals (http://publish.aps.org/). The paper can be found at the following URL: http://dx.doi.org/10.1103/PhysRevB.62.9305

DOI

10.1103/PhysRevB.62.9305

Persistent Identifier

http://archives.pdx.edu/ds/psu/11174

Citation Details

Stetzer, M. R. and Heiney, P. A. and Stephens, P. W. and Dinnebier, R. E. and Zhu, Q. and McGhie, A. R. and Strongin, R. M. and Brandt, B. M. and Smith, A. B. (2000). Structure and Phase Transitions of the 6, 6-Cyclopropane Isomer of C_ {61} H_ {2}. Physical Review B