Stereochemical effects in the gas-phase pinacol rearrangement of cis- and trans-1,2-dimethylcyclopentane-1,2-diol

1986 ◽  
Vol 108 (24) ◽  
pp. 7491-7495 ◽  
Author(s):  
Giulia. De Petris ◽  
Pierluigi. Giacomello ◽  
Tito. Picotti ◽  
Adriano. Pizzabiocca ◽  
Gabriele. Renzi ◽  
...  
Keyword(s):  
Gas Phase ◽  
Pinacol Rearrangement ◽  
Cis And Trans

Stereochemical effects in the gas-phase pinacol rearrangement. 2. Ring contraction versus methyl migration in cis- and trans-1,2-dimethylcyclohexane-1,2-diol

1988 ◽  
Vol 110 (4) ◽  
pp. 1098-1103 ◽  
Author(s):  
Giulia. De Petris ◽  
Pierluigi. Giacomello ◽  
Adriano. Pizzabiocca ◽  
Gabriele. Renzi ◽  
Maurizio. Speranza
Keyword(s):  
Gas Phase ◽  
Ring Contraction ◽  
Pinacol Rearrangement ◽  
Cis And Trans ◽  
In Cis

scholarly journals A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate

2021 ◽  
Author(s):  
Ettore Fois ◽  
Mario Oriani ◽  
gloria tabacchi
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Stable Isomer ◽  
Dispersion Interactions ◽  
Trans Form ◽  
Compact Structure ◽  
Hartree Fock ◽  
Molecular Dispersion ◽  
Cis And Trans ◽  
Effect Of Light

Octyl methoxycinnamate (OMC) is a commercial sunscreen with excellent UVB filter properties. However, it is known to undergo a series of photodegradation processes that decrease its effectiveness as UVB filter. In particular, the trans (E) form - which is considered so far the most stable isomer - converts to the cis (Z) form under the effect of light. In this work, by using post-Hartree-Fock approaches (CCSD, CCSD(t) and CCSD+T(CCSD)) on ground state OMC geometries optimized at the MP2 level we show that the cis and trans form of the gas-phase OMC molecule have comparable stability. Our results suggest that the cis form is stabilized by intra-molecular dispersion interactions, leading to a folded, more compact structure than the trans isomer.<br>

ChemInform Abstract: GAS-PHASE OZONOLYSIS OF CIS- AND TRANS-DICHLOROETHYLENE

1976 ◽  
Vol 7 (24) ◽  
pp. no-no
Author(s):  
CARY W. BLUME ◽  
I. C. HISATSUNE ◽  
JULIAN HEICKLEN
Keyword(s):  
Gas Phase ◽  
Cis And Trans

ChemInform Abstract: The Search for the Gas-Phase Negative Ion Pinacol Rearrangement.

ChemInform ◽  
2010 ◽  
Vol 24 (45) ◽  
pp. no-no
Author(s):  
S. K. DUA ◽  
R. B. WHAIT ◽  
M. J. ALEXANDER ◽  
R. N. HAYES ◽  
A. T. LEBEDEV ◽  
...  
Keyword(s):  
Gas Phase ◽  
Negative Ion ◽  
Pinacol Rearrangement

Acid‐base chemistry in the gas phase. The cis‐ and trans‐2‐naphthol⋅NH3 complexes in their S0 and S1 states

1992 ◽  
Vol 96 (11) ◽  
pp. 8026-8036 ◽  
Author(s):  
D. F. Plusquellic ◽  
X.‐Q. Tan ◽  
D. W. Pratt
Keyword(s):  
Gas Phase ◽  
Acid Base ◽  
Cis And Trans
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