Details
Original language | English |
---|---|
Pages (from-to) | 3465-3470 |
Number of pages | 6 |
Journal | Angewandte Chemie - International Edition |
Volume | 45 |
Issue number | 21 |
Publication status | Published - 19 May 2006 |
Abstract
Light at the end of the tunnel: Knowledge of the feasible tunneling pathways of a molecule can shed light on the interaction mechanisms that govern its internal dynamics. A combination of rotational spectroscopy, permutation inversion group theory, and multidimensional tunneling formalism has shown that in the series (CH3)3XCI (X = Si, Ge, Sn), electrostatic repulsion is gradually reduced and the chemical bond gains importance. (Figure Presented).
Keywords
- Microwave spectroscopy, Molecular dynamics, Nuclear quadrupole coupling, Theoretical chemistry
ASJC Scopus subject areas
- Chemical Engineering(all)
- Catalysis
- Chemistry(all)
- General Chemistry
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In: Angewandte Chemie - International Edition, Vol. 45, No. 21, 19.05.2006, p. 3465-3470.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Multidimensional large-amplitude motion
T2 - Revealing concurrent tunneling pathways in molecules with several internal rotors
AU - Schnell, Melanie
AU - Grabow, Jens Uwe
PY - 2006/5/19
Y1 - 2006/5/19
N2 - Light at the end of the tunnel: Knowledge of the feasible tunneling pathways of a molecule can shed light on the interaction mechanisms that govern its internal dynamics. A combination of rotational spectroscopy, permutation inversion group theory, and multidimensional tunneling formalism has shown that in the series (CH3)3XCI (X = Si, Ge, Sn), electrostatic repulsion is gradually reduced and the chemical bond gains importance. (Figure Presented).
AB - Light at the end of the tunnel: Knowledge of the feasible tunneling pathways of a molecule can shed light on the interaction mechanisms that govern its internal dynamics. A combination of rotational spectroscopy, permutation inversion group theory, and multidimensional tunneling formalism has shown that in the series (CH3)3XCI (X = Si, Ge, Sn), electrostatic repulsion is gradually reduced and the chemical bond gains importance. (Figure Presented).
KW - Microwave spectroscopy
KW - Molecular dynamics
KW - Nuclear quadrupole coupling
KW - Theoretical chemistry
UR - http://www.scopus.com/inward/record.url?scp=33746217415&partnerID=8YFLogxK
U2 - 10.1002/anie.200600201
DO - 10.1002/anie.200600201
M3 - Article
AN - SCOPUS:33746217415
VL - 45
SP - 3465
EP - 3470
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 21
ER -