Stereochemistry of the decay-induced gas-phase halogen exchange in diastereomeric 2,3-dichlorobutanes

1974 ◽  
Vol 78 (11) ◽  
pp. 1043-1048 ◽  
Author(s):  
Samuel H. Daniel ◽  
Hans J. Ache ◽  
Gerhard Stoecklin
Keyword(s):  
Gas Phase ◽  
Halogen Exchange

scholarly journals SN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion — A direct ab initio molecular dynamics (MD) study

2005 ◽  
Vol 83 (9) ◽  
pp. 1597-1605 ◽  
Author(s):  
Hiroto Tachikawa
Keyword(s):  
Molecular Dynamics ◽  
Reaction Mechanism ◽  
Ab Initio ◽  
Gas Phase ◽  
Reaction Channel ◽  
Ab Initio Molecular Dynamics ◽  
Methylene Carbon ◽  
Methylene Carbon Atom ◽  
Halogen Exchange ◽  
Collision Angle

Direct ab initio molecular dynamics (MD) calculations have been carried out for the reaction of cyclopropenyl chloride with halide ion (F–) (F– + (CH)3Cl → F(CH)3 + Cl–) in gas phase. Both SN2 and SN2′ channels were found as product channels. These channels are strongly dependent on the collision angle of F– to the target (CH)3Cl molecule. The collision at one of the carbon atoms of the C=C double bond leads to the SN2′ reaction channel; whereas the collision at the methylene carbon atom leads to the SN2 reaction channel. The reactions proceed via a direct mechanism without long-lived complexes. The reaction mechanism is discussed on the basis of the theoretical results.Key words: SN2 reaction, direct ab initio molecular dynamics, halogen exchange, reaction mechanism.

scholarly journals Facile continuous process for gas phase halogen exchange over supported alkyl phosphonium salts

RSC Advances ◽  
2018 ◽  
Vol 8 (5) ◽  
pp. 2824-2828
Author(s):  
Priti Sharma ◽  
Yoel Sasson
Keyword(s):  
Gas Phase ◽  
Continuous Process ◽  
Phosphonium Salts ◽  
Alkyl Chloride ◽  
Alkyl Bromide ◽  
Halogen Exchange

Chloride–bromide halogen exchange was realized when a mixture of an alkyl chloride and an alkyl bromide were reacted over a supported molten alkyl phosphonium catalyst.

Residual Gas Reactions in the Electron Microscope: I. Qualitative Observations on the Water Gas Reaction

1968 ◽  
Vol 26 ◽  
pp. 292-293
Author(s):  
Richard E. Hartman ◽  
Roberta S. Hartman ◽  
Peter L. Ramos
Keyword(s):  
Electron Beam ◽  
Electron Microscope ◽  
Gas Phase ◽  
Absolute Temperature ◽  
Residual Gas ◽  
Gas Reactions ◽  
Image Position ◽  
The Right ◽  
Water Gas ◽  
Thinning Rate

The action of water and the electron beam on organic specimens in the electron microscope results in the removal of oxidizable material (primarily hydrogen and carbon) by reactions similar to the water gas reaction .which has the form:The energy required to force the reaction to the right is supplied by the interaction of the electron beam with the specimen.The mass of water striking the specimen is given by:where u = gH2O/cm2 sec, PH2O = partial pressure of water in Torr, & T = absolute temperature of the gas phase. If it is assumed that mass is removed from the specimen by a reaction approximated by (1) and that the specimen is uniformly thinned by the reaction, then the thinning rate in A/ min iswhere x = thickness of the specimen in A, t = time in minutes, & E = efficiency (the fraction of the water striking the specimen which reacts with it).

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

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