The Thermal Rearrangement of Phosphorus Pentafluoride Adducts of Dimethyl Ether and Dimethyl Sulfide

1966 ◽  
Vol 88 (15) ◽  
pp. 3509-3511 ◽  
Author(s):  
Ruth A. Goodrich ◽  
P. M. Treichel
Keyword(s):  
Dimethyl Ether ◽  
Dimethyl Sulfide ◽  
Thermal Rearrangement ◽  
Phosphorus Pentafluoride

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.

Hydrogen abstraction from dimethyl ether (DME) and dimethyl sulfide (DMS) by OH radical: a computational study

2005 ◽  
Vol 722 (1-3) ◽  
pp. 9-19 ◽  
Author(s):  
Ahmed M. El-Nahas ◽  
Tadafumi Uchimaru ◽  
Masaaki Sugie ◽  
Kazuaki Tokuhashi ◽  
Akira Sekiya
Keyword(s):  
Dimethyl Ether ◽  
Dimethyl Sulfide ◽  
Computational Study ◽  
Hydrogen Abstraction ◽  
Oh Radical

Rate parameters for the reaction of atomic hydrogen with dimethyl ether and dimethyl sulfide

1981 ◽  
Vol 74 (5) ◽  
pp. 2839-2844 ◽  
Author(s):  
J. H. Lee ◽  
R. C. Machen ◽  
D. F. Nava ◽  
L. J. Stief
Keyword(s):  
Dimethyl Ether ◽  
Atomic Hydrogen ◽  
Dimethyl Sulfide
Sign in / Sign up

Export Citation Format

Share Document