Details
| Original language | English |
|---|---|
| Pages (from-to) | 2468-2471 |
| Number of pages | 4 |
| Journal | Chemistry - a European journal |
| Volume | 18 |
| Issue number | 9 |
| Early online date | 3 Feb 2012 |
| Publication status | Published - 27 Feb 2012 |
Abstract
Dynamics and inertia: The rotation of the CF 3 top in α,α,α-trifluorotoluene becomes considerably hindered by a V 3 barrier in α,α,α-trifluoro-p-tolualdehyde. Situated in a local V 6 environment, the V 3 barrier is caused by the aldehyde group and communicated through the aromatic π system. Quite dramatically, the ground state inertial defect jumps from -1.271 to -89.961 uÅ 2, thus reflecting the electronically induced rigidity (see figure).
Keywords
- conjugation, inertial defect, internal motions, long range orbital effects, rotational spectroscopy
ASJC Scopus subject areas
- Chemical Engineering(all)
- Catalysis
- Chemistry(all)
- Organic Chemistry
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In: Chemistry - a European journal, Vol. 18, No. 9, 27.02.2012, p. 2468-2471.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Morphing the torsional potential energy function from local to global symmetry through a π link
T2 - The rotational spectrum of α,α, α-trifluoro-p-tolualdehyde
AU - Favero, Laura B.
AU - Grabow, Jens Uwe
AU - Caminati, Walther
PY - 2012/2/27
Y1 - 2012/2/27
N2 - Dynamics and inertia: The rotation of the CF 3 top in α,α,α-trifluorotoluene becomes considerably hindered by a V 3 barrier in α,α,α-trifluoro-p-tolualdehyde. Situated in a local V 6 environment, the V 3 barrier is caused by the aldehyde group and communicated through the aromatic π system. Quite dramatically, the ground state inertial defect jumps from -1.271 to -89.961 uÅ 2, thus reflecting the electronically induced rigidity (see figure).
AB - Dynamics and inertia: The rotation of the CF 3 top in α,α,α-trifluorotoluene becomes considerably hindered by a V 3 barrier in α,α,α-trifluoro-p-tolualdehyde. Situated in a local V 6 environment, the V 3 barrier is caused by the aldehyde group and communicated through the aromatic π system. Quite dramatically, the ground state inertial defect jumps from -1.271 to -89.961 uÅ 2, thus reflecting the electronically induced rigidity (see figure).
KW - conjugation
KW - inertial defect
KW - internal motions
KW - long range orbital effects
KW - rotational spectroscopy
UR - http://www.scopus.com/inward/record.url?scp=84857433034&partnerID=8YFLogxK
U2 - 10.1002/chem.201103708
DO - 10.1002/chem.201103708
M3 - Article
AN - SCOPUS:84857433034
VL - 18
SP - 2468
EP - 2471
JO - Chemistry - a European journal
JF - Chemistry - a European journal
SN - 0947-6539
IS - 9
ER -