Details
Originalsprache | Englisch |
---|---|
Seiten (von - bis) | 5180-5183 |
Seitenumfang | 4 |
Fachzeitschrift | Angewandte Chemie - International Edition |
Jahrgang | 52 |
Ausgabenummer | 19 |
Publikationsstatus | Veröffentlicht - 3 Mai 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.
ASJC Scopus Sachgebiete
- Chemische Verfahrenstechnik (insg.)
- Katalyse
- Chemie (insg.)
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in: Angewandte Chemie - International Edition, Jahrgang 52, Nr. 19, 03.05.2013, S. 5180-5183.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
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 -