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

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>

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

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

scholarly journals Technical Note: Synthesis of isoprene atmospheric oxidation products: isomeric epoxydiols and the rearrangement products <i>cis</i>- and <i>trans</i>-3-methyl-3,4-dihydroxytetrahydrofuran

2012 ◽  
Vol 12 (6) ◽  
pp. 14247-14268
Author(s):  
Z. Zhang ◽  
Y.-H. Lin ◽  
H. Zhang ◽  
J. D. Surratt ◽  
L. M. Ball ◽  
...  
Keyword(s):  
Air Quality ◽  
Gas Phase ◽  
Good Yield ◽  
Organic Aerosols ◽  
Technical Note ◽  
Oxidation Products ◽  
Atmospheric Oxidation ◽  
Aerosol Formation ◽  
Cis And Trans ◽  
Oxidation Mechanisms

Abstract. Isoprene epoxydiol (IEPOX) isomers are key gas-phase intermediates of isoprene atmospheric oxidation. Secondary organic aerosols derived from such intermediates have important impacts on air quality and health. We report here convergent and unambiguous pathways developed for the synthesis of isomeric IEPOX species and the rearrangement products cis- and trans-3-methyl-3,4-dihydroxytetrahydrofuran in good yield. The availability of such compounds is necessary to expedite research on isoprene atmospheric oxidation mechanisms and subsequent aerosol formation as well as the toxicological properties of the aerosols.

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