Photoelectron spectroscopic studies of the intermolecular complexes dimethyl ether-hydrogen fluoride ((CH3)2O.HF) and dimethyl sulfide-hydrogen fluoride ((CH3)2S.HF)

1982 ◽  
Vol 104 (20) ◽  
pp. 5334-5338 ◽  
Author(s):  
F. Carnovale ◽  
M. K. Livett ◽  
J. B. Peel
Keyword(s):  
Dimethyl Ether ◽  
Hydrogen Fluoride ◽  
Dimethyl Sulfide ◽  
Spectroscopic Studies ◽  
Intermolecular Complexes

scholarly journals Gallium nitride catalyzed the direct hydrogenation of carbon dioxide to dimethyl ether as primary product

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Chang Liu ◽  
Jincan Kang ◽  
Zheng-Qing Huang ◽  
Yong-Hong Song ◽  
Yong-Shan Xiao ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Dimethyl Ether ◽  
High Performance ◽  
Density Functional ◽  
Value Added ◽  
Density Functional Theory Calculations ◽  
Product Distribution ◽  
Spectroscopic Studies ◽  
Direct Hydrogenation ◽  
Hydrogenation Of Co

AbstractThe selective hydrogenation of CO2 to value-added chemicals is attractive but still challenged by the high-performance catalyst. In this work, we report that gallium nitride (GaN) catalyzes the direct hydrogenation of CO2 to dimethyl ether (DME) with a CO-free selectivity of about 80%. The activity of GaN for the hydrogenation of CO2 is much higher than that for the hydrogenation of CO although the product distribution is very similar. The steady-state and transient experimental results, spectroscopic studies, and density functional theory calculations rigorously reveal that DME is produced as the primary product via the methyl and formate intermediates, which are formed over different planes of GaN with similar activation energies. This essentially differs from the traditional DME synthesis via the methanol intermediate over a hybrid catalyst. The present work offers a different catalyst capable of the direct hydrogenation of CO2 to DME and thus enriches the chemistry for CO2 transformations.

Stable Dialkyl Ether/Poly(Hydrogen Fluoride) Complexes:  Dimethyl Ether/Poly(Hydrogen Fluoride), A New, Convenient, and Effective Fluorinating Agent1a

2002 ◽  
Vol 124 (26) ◽  
pp. 7728-7736 ◽  
Author(s):  
Imre Bucsi ◽  
Béla Török ◽  
Alfonso Iza Marco ◽  
Golam Rasul ◽  
G. K. Surya Prakash ◽  
...  
Keyword(s):  
Dimethyl Ether ◽  
Hydrogen Fluoride ◽  
Fluoride Complexes

THE ORIGIN OF THE ROTATIONAL BARRIER IN DIMETHYL ETHER AND DIMETHYL SULFIDE: A THEORETICAL STUDY

2007 ◽  
Vol 06 (03) ◽  
pp. 421-434 ◽  
Author(s):  
JÍMENEZ-FABIAN ◽  
A. F. JALBOUT
Keyword(s):  
Dimethyl Ether ◽  
Density Functional ◽  
Dimethyl Sulfide ◽  
Nbo Analysis ◽  
Rotational Barrier ◽  
Basis Sets ◽  
Functional Theory ◽  
Hartree Fock ◽  
Torsional Potential ◽  
Methyl Rotation

The torsional potential function for methyl rotation in dimethyl ether (DME) and dimethyl sulfide (DMS) has been determined by utilizing ab initio (Hartree–Fock and MP2) and density functional theory (B3LYP, B3P86, and B3PW91) methods along with several basis sets. Natural bond orbital (NBO) analysis was also applied to investigate the origin of the rotational barrier.

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