Heats of reaction for nucleophilic and electrophilic displacement reactions in solution

1990 ◽  
Vol 55 (11) ◽  
pp. 3593-3596 ◽  
Author(s):  
Edward M. Arnett ◽  
Kalyani Amarnath ◽  
Sampath Venimadhavan
Keyword(s):  
Heats Of Reaction ◽  
Displacement Reactions

Displacement reactions. XIX. Rates and heats of reaction of nucleophiles with .beta.-propiolactone

1969 ◽  
Vol 91 (1) ◽  
pp. 104-107 ◽  
Author(s):  
Robert Earl Davis ◽  
Lydia A. Suba ◽  
Pat Klimishin ◽  
Janet Carter
Keyword(s):  
Heats Of Reaction ◽  
Displacement Reactions

Properties and Reactivity of First and Second Row Hydrides. IV. Interactions Between Hydrides and Their Radical Ions

1993 ◽  
Vol 58 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Rudolf Zahradník
Keyword(s):  
Radical Cations ◽  
Stabilization Energy ◽  
Hydrogen Atom Abstraction ◽  
Type Ii ◽  
Radical Ions ◽  
Reaction Products ◽  
Ion Molecule Reactions ◽  
Heats Of Reaction ◽  
Experimental Values ◽  
Easy Differentiation

The energies and heats of ion-molecule reactions have been calculated (MP4/6-31G**//6-31G** or better level) and compared with the experimental values obtained from the heats of formation. Two main types of reactions have been studied: (i) AHn + AHn+• ↔ AHn+1+ + AHn-1• (A = C to F and Si to Cl), (ii) AHn + BHm+• ↔ AHn+1+ + BHm-1• or AHn-1+• + BHm+1+ (A and B = C to F). In contrast to (i), processes of type (ii) permit easy differentiation between the proton transfer and hydrogen atom abstraction mechanisms. A third type of interaction involves reactions with radical anions (A = Li to F); comparison was made with analogous processes with radical cations. A brief comment is made about the influence of the level of computational sophistication on the energies and heats of reaction, as well as on the stabilization energy of a hydrogen bonded intermediate, a structure which is similar to that of the reaction products.

Biocomputing based on DNA strand displacement reactions

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Hui Lv ◽  
Qian Li ◽  
Jiye Shi ◽  
Fei Wang ◽  
Chunhai Fan
Keyword(s):  
Strand Displacement ◽  
Dna Strand Displacement ◽  
Displacement Reactions ◽  
Dna Strand
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