Wann, Derek A. orcid.org/0000-0002-5495-274X, Robinson, Matthew S., Bätz, Karin et al. (3 more authors) (2015) Structures of tetrasilylmethane derivatives (XMe2Si)2C(SiMe3)2 (X = H, Cl, Br) in the gas phase, and their dynamic structures in solution. Journal of Physical Chemistry A. pp. 786-795. ISSN 1089-5639
Abstract
The structures of the molecules (XMe2Si)2C(SiMe3)2, where X = H, Cl, Br, have been determined by gas electron diffraction (GED) using the SARACEN method of restraints, with all analogues existing in the gas phase as mixtures of C1- and C2-symmetric conformers. Variable temperature 1H and 29Si solution-phase NMR studies, as well as 13C NMR and 1H/29Si NMR shift correlation and 1H NMR saturation transfer experiments for the chlorine and bromine analogues, are reported. At low temperatures in solution there appear to be two C1 conformers and two C2 conformers, agreeing with the isolated-molecule calculations used to guide the electron diffraction refinements. For (HMe2Si)2C(SiMe3)2 the calculations indicated six conformers close in energy, and these were modeled in the GED refinement.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2015 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) The University of York |
Funding Information: | Funder Grant number EPSRC EP/I004122/2 |
Depositing User: | Pure (York) |
Date Deposited: | 03 Feb 2016 15:45 |
Last Modified: | 21 Jan 2025 17:17 |
Published Version: | https://doi.org/10.1021/jp511301s |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1021/jp511301s |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:93799 |