Lewis Base/Acid Coordination Stabilizes Planar 6�Aromatic Si6/P6

Parambil, PC and Perumal, SSRR (2020) Lewis Base/Acid Coordination Stabilizes Planar 6�Aromatic Si6/P6. In: Organometallics .

	PDF org_2020.pdf - Published Version Restricted to Registered users only Download (1MB) | Request a copy
	PDF om0c00449_si_001.pdf - Published Supplemental Material Restricted to Registered users only Download (595kB) | Request a copy
	Plain Text om0c00449_si_002.xyz - Published Supplemental Material Restricted to Registered users only Download (59kB) | Request a copy

Abstract

We have developed a strategy for designing planar all-Si and all-P 6�aromatics based on experimentally available building blocks. A Si6 hexagon coordinated by three phosphines at the 1,3,5-positions, Si6(PH3)3, which has three lone-pair-carrying Si atoms is nearly planar and aromatic. Replacing PH3 by NH3 induces perfect planarity. Two-electron reduction of Si6(PH3)3 results in doubly aromatic Si62- with the dissociation of Si-P bonds, instead of a nonaromatic system such as the benzene dianion. Similarly to base-coordinated Si6, Lewis acid coordination to P6 can give planar 6�aromatics. P6(BH3)3 is a nearly planar minimum. Replacing BH3 with a stronger Lewis acid, B(CN)3, gives a perfectly planar structure. A PH3-coordinated all-Si diene resembling butadiene is predicted. A concerted 4 + 2 cycloaddition between this all-Si diene and ethylene is proposed here and has a computed barrier of only 22 kcal/mol. © 2020 American Chemical Society.

Item Type:	Journal Article
Publication:	Organometallics
Publisher:	American Chemical Society
Additional Information:	The copyright of this article belongs to American Chemical Society
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	08 Oct 2020 06:49
Last Modified:	08 Oct 2020 06:49
URI:	http://eprints.iisc.ac.in/id/eprint/66551

Actions (login required)

View Item