Title: Structure-property-reactivity studies on dithiaphospholes - data

Citation
Melen R, Ould D (2019). Structure-property-reactivity studies on dithiaphospholes - data. Cardiff University. http://doi.org/10.17035/d.2019.0084454664


Access Rights: Data is provided under a Creative Commons Attribution (CC BY 4.0) licence
Access Method: Click to email a request for this data to opendata@cardiff.ac.uk

Cardiff University Dataset Creators

Dataset Details
Publisher: Cardiff University
Date (year) of data becoming publicly available: 2019
Coverage start date: 01/10/2017
Coverage end date: 20/09/2019
Data format: .pdf, .png, .cif,
Software Required: MNOVA, Adobe, mercury
Estimated total storage size of dataset: Less than 1 gigabyte
DOI: 10.17035/d.2019.0084454664

Description

The reaction of either toluene-3,4-dithiol or benzene dithiol with phosphorus(III) trihalides generate the corresponding benzo-fused 1,3,2-dithiaphospholes, RC6H3S2PX (R = Me (1), R = H (2); X = Cl, Br, I). The P-chloro-dithiaphospholes undergo: (a) halogen abstraction reactions with Lewis acids forming phosphenium cations; (b) substitution with LiHMDS base and; (c) reduction chemistry with sodium metal to generate the P-P -bonded dimer, (RC6H3S2P)2. Reduction catalysis of aldehydes with pinacolborane using dithiaphospholes is compared with their dioxaphosphole and diazaphosphole counterparts as precatalysts, revealing interesting differences in the reactivity of this series of compound.

Date included includes the synthesis of compounds and structure characterisation including NMR, X-ray and DFT calculations.

Research results based upon these data are published at http://doi.org/10.1039/C9DT03577J



Keywords

phosphorus, Structure elucidation

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Last updated on 2019-12-11 at 10:23