On population-space description of chemical reactivity

Roman F Nalewajski*

The electron-population degrees-of-freedom of donor-acceptor systems are reexamined and alternative simple models of charge-transfer reactivity are discussed in the substrate and atomic resolutions. The in situ differential descriptors of the polarized subsystems are emphasized and alternative energy profiles in interactions between hard and soft acidic and basic reactants are used to investigate the process representative activation and reaction energies. The intersecting-state model of such acid-base (AB) systems is explored, its predictions of the reaction transition-state complex and its properties are summarized, and composite (AB)n systems are commented upon. 

Keywords:

Published on: May 31, 2024 Pages: 47-57

Full Text PDF Full Text HTML DOI: 10.17352/ojc.000039
CrossMark Publons Harvard Library HOLLIS Search IT Semantic Scholar Get Citation Base Search Scilit OAI-PMH ResearchGate Academic Microsoft GrowKudos Universite de Paris UW Libraries SJSU King Library SJSU King Library NUS Library McGill DET KGL BIBLiOTEK JCU Discovery Universidad De Lima WorldCat VU on WorldCat