- Semiquantitative Aspects of Density-Based Descriptors and Molecular Interactions: A More Generalized Local Hard–Soft Acid–Base Principle

2016 ◽  
pp. 428-451
Keyword(s):  
Molecular Interactions ◽  
Acid Base ◽  
Soft Acid

An analysis of the factors contributing to the regioselectivity observed in the opening of oxiranes

1980 ◽  
Vol 58 (3) ◽  
pp. 302-306 ◽  
Author(s):  
Margaret M. Kayser ◽  
Peter Morand
Keyword(s):  
Oxygen Atom ◽  
Ring Opening ◽  
Oxirane Ring ◽  
Epoxide Ring ◽  
Acid Base ◽  
Epoxide Ring Opening ◽  
Soft Acid ◽  
Hsab Theory

The regioselectivity of epoxide ring opening can be analyzed in terms of hard–soft acid–base (HSAB) theory. The coordination of the hard acid with the oxygen atom of the oxirane ring produces a "pulling effect" which determines the direction of the ring opening. In the absence of a strong "pulling effect" the "pushing effect" of the approaching base is examined and the consequences of relative softness or hardness of the nucleophile on the regioselectivity of the ring opening are discussed.

scholarly journals Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility

2019 ◽  
Vol 6 (9) ◽  
pp. 1883-1891 ◽  
Author(s):  
Shyamapada Nandi ◽  
Phil De Luna ◽  
Rahul Maity ◽  
Debanjan Chakraborty ◽  
Thomas Daff ◽  
...  
Keyword(s):  
Porous Solid ◽  
Acid Base ◽  
Base Concept ◽  
Soft Acid

Using a simple hard–soft acid–base concept we have deliberately designed gas-specific and pressure dependent porosity into a non-porous solid via coordination flexibility.

Thermogravimetric Studies on Bimetallic Dithiocarbamate Complexes

1992 ◽  
Vol 47 (9) ◽  
pp. 1297-1299 ◽  
Author(s):  
G. S. Sodhi ◽  
J. Kaur
Keyword(s):  
Activation Energy ◽  
Thermal Decomposition ◽  
Decomposition Reaction ◽  
Activation Entropy ◽  
Acid Base ◽  
Thermal Stabilities ◽  
Tg Studies ◽  
Thermogravimetric Studies ◽  
Soft Acid ◽  
Hsab Theory

Thermogravimetric (TG) studies have been carried out for some bimetallic dithiocarbamate complexes of the type ZnML4 and NiM′L′4 [M = Co(II), Cu(II); M′ = Zn(II), Hg(II); L = N-methylcyclohexyldithiocarbamate; L′ = N-ethylcyclohexyldithiocarbamate]. From TG curves, the order, apparent activation energy and apparent activation entropy for the thermal decomposition reaction have been calculated. The thermal stabilities have been correlated with the structures of the complexes on the basis of hard and soft acid base (HSAB) theory.

Sign in / Sign up

Export Citation Format

Share Document