Issue 46, 2021

Gas electron diffraction then and now: from trisilyl phosphine to iso-propyl(tert-butyl)(trichlorosilyl)phosphine

Abstract

The gas-phase molecular structure of iso-propyl(tert-butyl)(trichlorosilyl)phosphine has been determined using a combination of gas electron diffraction and computational methods. The structure presents a conformational challenge that required use of the SARACEN method to combine theoretical observations into the least-squares refinement process, a great advance on the techniques used to solve the structure of the parent trisilyl phosphine. Five conformers were found on the potential-energy surface for iso-propyl(tert-butyl)(trichlorosilyl)phosphine using the UCONGA program, and following a series of individual structure refinements a combined model with the two most abundant confirmers was evaluated. Key structural parameters (ra) include rP–Si [225.5(6) pm], rSi–Clmean [204.0(1) pm] and rP–Cmean [204.0(1) pm], ∠P–C–H 101.5(5)°, ∠C–C–C (iPr) 110.5(5)°, ∠C–C–C (tBu) 109.2(5)° and ∠C–P–C 105.4(5)°.

Graphical abstract: Gas electron diffraction then and now: from trisilyl phosphine to iso-propyl(tert-butyl)(trichlorosilyl)phosphine

Supplementary files

Article information

Article type
Paper
Submitted
27 Aug. 2021
Accepted
12 Okt. 2021
First published
12 Okt. 2021
This article is Open Access
Creative Commons BY-NC license

Dalton Trans., 2021,50, 17000-17007

Gas electron diffraction then and now: from trisilyl phosphine to iso-propyl(tert-butyl)(trichlorosilyl)phosphine

I. Wagner, D. W. H. Rankin and S. L. Masters, Dalton Trans., 2021, 50, 17000 DOI: 10.1039/D1DT02888J

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements