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

Acid-base properties of cis- and trans-dibromodihydroxodiammineplatinum (IV)

1971 ◽  
Vol 20 (6) ◽  
pp. 1222-1224
Author(s):  
N. N. Zheligovskaya ◽  
M. G. Felin ◽  
Vikt I. Spitsyn
Keyword(s):  
Acid Base ◽  
Cis And Trans ◽  
Base Properties

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>

Acid-base properties of cis- and trans-dihydroxodiiododiammineplatinum (IV)

1971 ◽  
Vol 20 (8) ◽  
pp. 1682-1683
Author(s):  
N. N. Zheligovskaya ◽  
M. G. Felin ◽  
Vikt. I. Spitsyn
Keyword(s):  
Acid Base ◽  
Cis And Trans ◽  
Base Properties

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 Gas-Phase Epoxidation of Propylene to Propylene Oxide on a Supported Catalyst Modified with Various Dopants

Catalysts ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 638 ◽  
Author(s):  
Sugiyama ◽  
Sakuwa ◽  
Ogino ◽  
Sakamoto ◽  
Shimoda ◽  
...  
Keyword(s):  
Gas Phase ◽  
Propylene Oxide ◽  
Active Catalyst ◽  
Supported Catalyst ◽  
Acid Base ◽  
Epoxidation Of Propylene ◽  
Highly Active ◽  
Acidic Catalysts ◽  
Carbonate Species ◽  
Metal Doped

In the present study, the production of propylene oxide (PO) from propylene via gas-phase epoxidation was investigated using various catalysts. Although Ag is known to be a highly active catalyst for the epoxidation of ethylene, it was not active in the present reaction. Both Al and Ti showed high levels of activity, however, which resulted in confusion. The present study was conducted to solve such confusion. Although the employment of MCM-41 modified with Ti and/or Al was reported as an active catalyst for epoxidation, the combination resulted in the formation of PO at a less than 0.1% yield. Since this research revealed that the acidic catalyst seemed favorable for the formation of PO, versions of ZSM-5 that were both undoped and doped with Na, Ti, and Ag were used as catalysts. In these cases, small improvements of 0.67% and 0.57% were achieved in the PO yield on H‒ZSM-5 and Ti‒ZSM-5, respectively. Based on the results of the Ti-dopant and acidic catalysts, Ag metal doped on carbonate species with a smaller surface area was used as a catalyst. As reported, Ag‒Na/CaCO3 showed a greater yield of PO at 1.29%. Furthermore, the use of SrCO3 for CaCO3 resulted in a further improvement in the PO yield to 2.17%. An experiment using CO2 and NH3 pulse together with SEM and TEM examinations for Ag‒Na/CaCO3 revealed that the greatest activity was the result of the greater particle size of metallic Ag rather than the acid‒base properties of the catalysts.

Acid−Base Equilibria in Nonpolar Media. 4. Extension of the Self-Consistent Basicity Scale in THF Medium. Gas-Phase Basicities of Phosphazenes

2003 ◽  
Vol 68 (26) ◽  
pp. 9988-9993 ◽  
Author(s):  
Ivari Kaljurand ◽  
Toomas Rodima ◽  
Aino Pihl ◽  
Vahur Mäemets ◽  
Ivo Leito ◽  
...  
Keyword(s):  
Gas Phase ◽  
The Self ◽  
Acid Base ◽  
Self Consistent ◽  
Gas Phase Basicities
Sign in / Sign up

Export Citation Format

Share Document