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Updated: Oct 16, 2025

Analysis of Volatile and Oxidation Sensitive Compounds Using a Cold Inlet System and Electron Impact Mass Spectrometry
Published on: September 5, 2014
Gas electron diffraction then and now: from trisilyl phosphine to iso-propyl(tert-butyl)(trichlorosilyl)phosphine
Isabella Wagner1, David W H Rankin2, Sarah L Masters1
1School of Physical and Chemical Sciences, University of Canterbury, Private Bag 4100, Christchurch 8140, New Zealand. sarah.masters@canterbury.ac.nz.
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)°.
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