Structure of the benzene dimer - Governed by dynamics

Research output: Contribution to journal › Article › Research › peer review

Authors

  • Melanie Schnell
  • Undine Erlekam
  • P. R. Bunker
  • Gert Vonhelden
  • Jens Uwe Grabow
  • Gerard Meijer
  • Ad Vanderavoird

Research Organisations

External Research Organisations

  • Center for Free-Electron Laser Science (CFEL)
  • Max Planck Institute for Nuclear Physics
  • Fritz Haber Institute of the Max Planck Society (FHI)
  • National Research Council of Canada
  • Radboud University Nijmegen (RU)
View graph of relations

Details

Original languageEnglish
Pages (from-to)5180-5183
Number of pages4
JournalAngewandte Chemie - International Edition
Volume52
Issue number19
Publication statusPublished - 3 May 2013

Abstract

The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T-shaped structure and tilt tunneling of the cap.

Keywords

    ab initio calculations, internal rotation, noncovalent interactions, rotational spectroscopy, tunneling

ASJC Scopus subject areas

Cite this

Structure of the benzene dimer - Governed by dynamics. / Schnell, Melanie; Erlekam, Undine; Bunker, P. R. et al.
In: Angewandte Chemie - International Edition, Vol. 52, No. 19, 03.05.2013, p. 5180-5183.

Research output: Contribution to journal › Article › Research › peer review

Schnell, M, Erlekam, U, Bunker, PR, Vonhelden, G, Grabow, JU, Meijer, G & Vanderavoird, A 2013, 'Structure of the benzene dimer - Governed by dynamics', Angewandte Chemie - International Edition, vol. 52, no. 19, pp. 5180-5183. https://doi.org/10.1002/anie.201300653
Schnell, M., Erlekam, U., Bunker, P. R., Vonhelden, G., Grabow, J. U., Meijer, G., & Vanderavoird, A. (2013). Structure of the benzene dimer - Governed by dynamics. Angewandte Chemie - International Edition, 52(19), 5180-5183. https://doi.org/10.1002/anie.201300653
Schnell M, Erlekam U, Bunker PR, Vonhelden G, Grabow JU, Meijer G et al. Structure of the benzene dimer - Governed by dynamics. Angewandte Chemie - International Edition. 2013 May 3;52(19):5180-5183. doi: 10.1002/anie.201300653
Schnell, Melanie ; Erlekam, Undine ; Bunker, P. R. et al. / Structure of the benzene dimer - Governed by dynamics. In: Angewandte Chemie - International Edition. 2013 ; Vol. 52, No. 19. pp. 5180-5183.
Download
@article{ea293474d41e42aea6d1b576e464fbdf,
title = "Structure of the benzene dimer - Governed by dynamics",
abstract = "The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T-shaped structure and tilt tunneling of the cap.",
keywords = "ab initio calculations, internal rotation, noncovalent interactions, rotational spectroscopy, tunneling",
author = "Melanie Schnell and Undine Erlekam and Bunker, {P. R.} and Gert Vonhelden and Grabow, {Jens Uwe} and Gerard Meijer and Ad Vanderavoird",
year = "2013",
month = may,
day = "3",
doi = "10.1002/anie.201300653",
language = "English",
volume = "52",
pages = "5180--5183",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley and Sons Ltd",
number = "19",

}

Download

TY - JOUR

T1 - Structure of the benzene dimer - Governed by dynamics

AU - Schnell, Melanie

AU - Erlekam, Undine

AU - Bunker, P. R.

AU - Vonhelden, Gert

AU - Grabow, Jens Uwe

AU - Meijer, Gerard

AU - Vanderavoird, Ad

PY - 2013/5/3

Y1 - 2013/5/3

N2 - The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T-shaped structure and tilt tunneling of the cap.

AB - The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T-shaped structure and tilt tunneling of the cap.

KW - ab initio calculations

KW - internal rotation

KW - noncovalent interactions

KW - rotational spectroscopy

KW - tunneling

UR - http://www.scopus.com/inward/record.url?scp=84877723841&partnerID=8YFLogxK

U2 - 10.1002/anie.201300653

DO - 10.1002/anie.201300653

M3 - Article

AN - SCOPUS:84877723841

VL - 52

SP - 5180

EP - 5183

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

SN - 1433-7851

IS - 19

ER -