Naslov
The Physical Origin of Chemical Phenomena - Interpretation of Acidity, Basicity and Hydride Affinity by Trichotomy Paradigm

Autori
Maksić, Zvonimir ; Vianello, Robert

Izvornik
Pure and Applied Chemistry (0033-4545) 79 (2007), 6; 1003-1021

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
proton affinity; basicity; acidity; hydride affinity; superbases; superacids

Sažetak
Some of the most important aspects of modeling in chemistry are discussed in detail. It is argued that interpretive side of (quantum) chemistry is indispensable, since it gives sense to myriads of experimental and computational results. The usefulness of some physical modeling is illustrated by trichotomy approach in rationalizing acidity, basicity and hydride affinities of neutral organic compounds. According to trichotomy paradigm the simple chemical reaction of protonation and H- attachment can be decomposed into three separate sequential steps, which in turn mirror the initial state, intermediate stage and final state effects. Ample evidence is given, which convincingly shows that trichotomy approach has some distinct advantages in interpreting aforementioned properties that belong to the most important ones in chemistry and biochemistry.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA