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Hybrid sol–gel double metal cyanide catalysts for the copolymerisation of styrene oxide and CO 2
Hybrid sol–gel catalysts of zinc hexacyanocobaltate and SiO2 were prepared by co-
precipitation of the double metal cyanide with silica. Hybrid catalysts prepared at moderately …
precipitation of the double metal cyanide with silica. Hybrid catalysts prepared at moderately …
Toward the IR Detection of Carbonic Acid: Absorption and Emission Spectra
With the recent radioastronomical detection of cis-trans-carbonic acid (H 2 CO 3) in a
molecular cloud toward the Galactic center, the more stable but currently unobserved cis-cis …
molecular cloud toward the Galactic center, the more stable but currently unobserved cis-cis …
H 2 CO 3→ CO 2+ H 2 O decomposition in the presence of H 2 O, HCOOH, CH 3 COOH, H 2 SO 4 and HO 2 radical: Instability of the gas-phase H 2 CO 3 molecule in …
To understand the stability of the gas-phase carbonic acid (H2CO3) molecule, especially in
the Earth's troposphere and lower stratosphere, here we report high level quantum …
the Earth's troposphere and lower stratosphere, here we report high level quantum …
Carbonic acid: molecule, crystal and aqueous solution
Carbonic acid (CA) is a crucial species in the equilibrium between carbon dioxide, water
and many minerals. Yet many of its properties have either not been studied at all, or have …
and many minerals. Yet many of its properties have either not been studied at all, or have …
Solving the Puzzle of the Carbonic Acid Vibrational Spectrum–an Anharmonic Story
Against the general belief that carbonic acid is too unstable for synthesis, it was possible to
synthesize the solid [1, 2] as well as gas‐phase carbonic acid.[3] It was suggested that solid …
synthesize the solid [1, 2] as well as gas‐phase carbonic acid.[3] It was suggested that solid …
Matrix Isolation Studies of Carbonic Acid The Vapor Phase above the β-Polymorph
Twenty years ago two different polymorphs of carbonic acid, α-and β-H2CO3, were isolated
as thin, crystalline films. They were characterized by infrared and, of late, by Raman …
as thin, crystalline films. They were characterized by infrared and, of late, by Raman …
Molecular hydration of carbonic acid: ab initio quantum chemical and density functional theory investigation
Molecular hydration of carbonic acid (H2CO3) is investigated in terms of bonding patterns in
H2CO3···(H2O) n [n= 1–4] hydrogen-bonded clusters within ab initio quantum chemical and …
H2CO3···(H2O) n [n= 1–4] hydrogen-bonded clusters within ab initio quantum chemical and …
New Mechanism for Autocatalytic Decomposition of H2CO3 in the Vapor Phase
In this article, we present high level ab initio calculations investigating the energetics of a
new autocatalytic decomposition mechanism for carbonic acid (H2CO3) in the vapor phase …
new autocatalytic decomposition mechanism for carbonic acid (H2CO3) in the vapor phase …
Autocatalytic decomposition of carbonic acid
SA de Marothy - International Journal of Quantum Chemistry, 2013 - Wiley Online Library
Long held to be unstable or metastable in the gas phase, carbonic acid has successfully
been produced and identified in its gaseous form in recent decades. Theoretical studies …
been produced and identified in its gaseous form in recent decades. Theoretical studies …
Impact of OH Radical-Initiated H2CO3 Degradation in the Earth's Atmosphere via Proton-Coupled Electron Transfer Mechanism
The decomposition of isolated carbonic acid (H2CO3) molecule into CO2 and H2O
(H2CO3→ CO2+ H2O) is prevented by a large activation barrier (> 35 kcal/mol) …
(H2CO3→ CO2+ H2O) is prevented by a large activation barrier (> 35 kcal/mol) …