Effects Of Electric Fields On Structure And Reactivity
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Effects of Electric Fields on Structure and Reactivity
Author: Sason Shaik
language: en
Publisher: Royal Society of Chemistry
Release Date: 2021-03-05
Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics. Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind – and demonstrations of the effect of – electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.
Chemical Reactivity Theory
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Crystalline Electric Field and Structural Effects in f-Electron Systems
Author: Jack E. Crow
language: en
Publisher: Springer Science & Business Media
Release Date: 2012-12-06
Perhaps the title of this conference "Ctystalline Electric Field and Structural Effects in f-Electron Systems" reflects best the growth and direction of the field. The title and the conference itself go beyond "CEF" in two broad and important respects. First, the inter-relations between CEF and mode softenings, distortions due to quadruplar ordering or the Jahn Teller effect, have gained greater focus, hence the inclusion of . •• "Structral Effects. " Second, much greater emphasis on the actinides and, in particular, comparisons between actinides and the lighter rare earths is seen in this conference, hence the more general terminology . . . Iff-Electron Systems. " It seems clear that this comparison will lead to an extension to the actinides of mixed valence and Kondo considerations, as well as CEF effects. The emergence of a broader discipline which includes all f-electron systems and which is concerned with unstable, as well as stable, valence reflects the maturation of the field and a coming to grips with the complexity, as well as the unity, of f-electron systems. This maturation is also seen in the growing realization of the effects of CEF on transport, thermodynamic properties, and superconductivity and its co-existence with magnetic order. This volume contains 63 articles, all but two of which were presented at the Conference held in Philadelphia, U. S. A. , on 12-15 November, 1979. About 100 conferees from 13 countries attended the meeting which consisted of four full days of lecture presentations.