Orbital Engineering in Chemistry

Jemmis, ED and Ghorai, S (2022) Orbital Engineering in Chemistry. In: Israel Journal of Chemistry, 62 (1-2).

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Abstract

During the Search for a relationship between boranes and allotropes of elemental boron, several chemical problems came up: mechanism of 1,2-shift in vinyl cations, relative stability of polyhedral boranes, carboranes, pyramidal cations, Non-planar 2π aromaticity, pseudo π* aromaticity, sequential dehydrogenation and polycondensation of polyhedral boranes, design of stuffed boron fullerenes and C−C bond making and breaking processes belong to this group. A common thread that runs through these projects is the use of frontier molecular orbitals to design, control and explain chemical observations. Such manipulation of molecular orbitals as a design element is introduced here as Orbital Engineering which continues to help in 2D boron also.

Item Type:	Journal Article
Publication:	Israel Journal of Chemistry
Publisher:	John Wiley and Sons Inc
Additional Information:	The copyright for this article belongs to John Wiley and Sons Inc.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	05 Jan 2022 06:43
Last Modified:	12 Sep 2022 06:03
URI:	https://eprints.iisc.ac.in/id/eprint/70902

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