Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane

Hilke Wolf; Nina Lock; Stewart F. Parker; Dietmar Stalke

doi:10.1002/chem.201405948

Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane

Hilke Wolf, Nina Lock, Stewart F. Parker, Dietmar Stalke^*

^*Corresponding author for this work

Interdisciplinary Nanoscience Center - INANO-Kemi, iNANO-huset

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

4 Citations (Scopus)

Abstract

[2,2]-Paracyclophane undergoes phase transitions at 45 and 60K. Based on simultaneous Raman spectroscopy and inelastic neutron scattering experiments (12-70K), it was shown that a twisting motion of the ethylene bridge perpendicular to the plane of the aromatic rings drives the phase transition. The low-temperature (60K) conformers only differ by this twisting motion, which freezes out below 45K and is thermally averaged above 60K. Between 45 and 60K, the system gains energy until the phase transition is complete.

Original language	English
Journal	Chemistry: A European Journal
Volume	21
Issue	12
Pages (from-to)	4556-4560
Number of pages	5
ISSN	0947-6539
DOIs	https://doi.org/10.1002/chem.201405948
Publication status	Published - 16 Mar 2015

Keywords

inelastic neutron scattering
non-destructive phase transition
paracyclophane
Raman spectroscopy
structure determination
NORMAL HARMONIC VIBRATIONS
MOLECULAR DISTORTIONS
ELECTRONIC-SPECTRUM
CYCLOPHANES
<2.2>PARACYCLOPHANE
CHEMISTRY
CRYSTAL

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@article{b6abb2b247c14d99989128dcc94b00bc,

title = "Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane",

abstract = "[2,2]-Paracyclophane undergoes phase transitions at 45 and 60K. Based on simultaneous Raman spectroscopy and inelastic neutron scattering experiments (12-70K), it was shown that a twisting motion of the ethylene bridge perpendicular to the plane of the aromatic rings drives the phase transition. The low-temperature (60K) conformers only differ by this twisting motion, which freezes out below 45K and is thermally averaged above 60K. Between 45 and 60K, the system gains energy until the phase transition is complete.",

keywords = "inelastic neutron scattering, non-destructive phase transition, paracyclophane, Raman spectroscopy, structure determination, NORMAL HARMONIC VIBRATIONS, MOLECULAR DISTORTIONS, ELECTRONIC-SPECTRUM, CYCLOPHANES, <2.2>PARACYCLOPHANE, CHEMISTRY, CRYSTAL",

author = "Hilke Wolf and Nina Lock and Parker, {Stewart F.} and Dietmar Stalke",

year = "2015",

month = mar,

day = "16",

doi = "10.1002/chem.201405948",

language = "English",

volume = "21",

pages = "4556--4560",

journal = "Chemistry: A European Journal",

issn = "0947-6539",

publisher = "Wiley-VCH Verlag",

number = "12",

}

Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane. / Wolf, Hilke; Lock, Nina; Parker, Stewart F. et al.
In: Chemistry: A European Journal, Vol. 21, No. 12, 16.03.2015, p. 4556-4560.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane

AU - Wolf, Hilke

AU - Lock, Nina

AU - Parker, Stewart F.

AU - Stalke, Dietmar

PY - 2015/3/16

Y1 - 2015/3/16

N2 - [2,2]-Paracyclophane undergoes phase transitions at 45 and 60K. Based on simultaneous Raman spectroscopy and inelastic neutron scattering experiments (12-70K), it was shown that a twisting motion of the ethylene bridge perpendicular to the plane of the aromatic rings drives the phase transition. The low-temperature (60K) conformers only differ by this twisting motion, which freezes out below 45K and is thermally averaged above 60K. Between 45 and 60K, the system gains energy until the phase transition is complete.

AB - [2,2]-Paracyclophane undergoes phase transitions at 45 and 60K. Based on simultaneous Raman spectroscopy and inelastic neutron scattering experiments (12-70K), it was shown that a twisting motion of the ethylene bridge perpendicular to the plane of the aromatic rings drives the phase transition. The low-temperature (60K) conformers only differ by this twisting motion, which freezes out below 45K and is thermally averaged above 60K. Between 45 and 60K, the system gains energy until the phase transition is complete.

KW - inelastic neutron scattering

KW - non-destructive phase transition

KW - paracyclophane

KW - Raman spectroscopy

KW - structure determination

KW - NORMAL HARMONIC VIBRATIONS

KW - MOLECULAR DISTORTIONS

KW - ELECTRONIC-SPECTRUM

KW - CYCLOPHANES

KW - <2.2>PARACYCLOPHANE

KW - CHEMISTRY

KW - CRYSTAL

U2 - 10.1002/chem.201405948

DO - 10.1002/chem.201405948

M3 - Journal article

C2 - 25678295

SN - 0947-6539

VL - 21

SP - 4556

EP - 4560

JO - Chemistry: A European Journal

JF - Chemistry: A European Journal

IS - 12

ER -

Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane

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Keywords

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