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Title: Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story

Abstract

In this contribution, the solid-state low-temperature phase structure of [2,2]-paracyclophane is unambiguously characterised by single-crystal X-ray analysis. Additionally, a heat capacity measurement was undertaken, which proves the existence of a λ-type phase transition at 45 K, a transition that is connected with the formation of a secondary C p/T feature at 60 K. The low-temperature phase (<45 K) crystallises in the lower symmetry space group P n2, whereas the high-temperature phase (>60 K) crystallises in space group P4 2/mnm. This proves what has been postulated both by experimental and theoretical chemists but has repeatedly been dismissed as speculation many times.

Authors:
; ; ; ; ; ; ; ; ; ;  [1];  [2];  [2];  [2]
  1. Aarhus
  2. (
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1149183
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chem.-Eur. J.; Journal Volume: 20; Journal Issue: (23) ; 06, 2014
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Wolf, Hilke, Leusser, Dirk, Jørgensen, Mads, #8197, V., R., Herbst-Irmer, Regine, Chen, Yu-Sheng, Scheidt, Ernst-Wilhelm, Scherer, Wolfgang, Iversen, Bo B., Stalke, Dietmar, ORNL), UC), and Georg-August). Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story. United States: N. p., 2014. Web. doi:10.1002/chem.201304972.
Wolf, Hilke, Leusser, Dirk, Jørgensen, Mads, #8197, V., R., Herbst-Irmer, Regine, Chen, Yu-Sheng, Scheidt, Ernst-Wilhelm, Scherer, Wolfgang, Iversen, Bo B., Stalke, Dietmar, ORNL), UC), & Georg-August). Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story. United States. doi:10.1002/chem.201304972.
Wolf, Hilke, Leusser, Dirk, Jørgensen, Mads, #8197, V., R., Herbst-Irmer, Regine, Chen, Yu-Sheng, Scheidt, Ernst-Wilhelm, Scherer, Wolfgang, Iversen, Bo B., Stalke, Dietmar, ORNL), UC), and Georg-August). Tue . "Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story". United States. doi:10.1002/chem.201304972.
@article{osti_1149183,
title = {Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story},
author = {Wolf, Hilke and Leusser, Dirk and Jørgensen, Mads and #8197 and V., R. and Herbst-Irmer, Regine and Chen, Yu-Sheng and Scheidt, Ernst-Wilhelm and Scherer, Wolfgang and Iversen, Bo B. and Stalke, Dietmar and ORNL) and UC) and Georg-August)},
abstractNote = {In this contribution, the solid-state low-temperature phase structure of [2,2]-paracyclophane is unambiguously characterised by single-crystal X-ray analysis. Additionally, a heat capacity measurement was undertaken, which proves the existence of a λ-type phase transition at 45 K, a transition that is connected with the formation of a secondary Cp/T feature at 60 K. The low-temperature phase (<45 K) crystallises in the lower symmetry space group P4¯n2, whereas the high-temperature phase (>60 K) crystallises in space group P42/mnm. This proves what has been postulated both by experimental and theoretical chemists but has repeatedly been dismissed as speculation many times.},
doi = {10.1002/chem.201304972},
journal = {Chem.-Eur. J.},
number = (23) ; 06, 2014,
volume = 20,
place = {United States},
year = {Tue Aug 05 00:00:00 EDT 2014},
month = {Tue Aug 05 00:00:00 EDT 2014}
}