A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion
| dc.contributor.author | Rusho, Jon | |
| dc.contributor.author | Gordon, Mark | |
| dc.contributor.author | Damrauer, Niels | |
| dc.contributor.author | Damrauer, Robert | |
| dc.contributor.department | Department of Chemistry | |
| dc.date | 2018-02-17T07:49:21.000 | |
| dc.date.accessioned | 2020-06-30T01:19:13Z | |
| dc.date.available | 2020-06-30T01:19:13Z | |
| dc.date.copyright | Thu Jan 01 00:00:00 UTC 1998 | |
| dc.date.issued | 1998-02-01 | |
| dc.description.abstract | <p>Proton-transfer reactions involving the silaformyl anion, HSiO-, and its conjugate acids, HSiOH and H2SiO, have been investigated with ab initio methods. Calculations through fourth-order perturbation theory suggest possible routes for proton transfer. Accurate estimates for the acidity of H2SiO and HSiOH are presented and discussed in light of earlier experimental estimates.</p> | |
| dc.description.comments | <p>Reprinted (adapted) with permission from <em>Journal of the American Chemical Society </em>120 (1998): 2124, doi:<a href="http://dx.doi.org/10.1021/ja9722077" target="_blank">10.1021/ja9722077</a>. Copyright 1998 American Chemical Society.</p> | |
| dc.format.mimetype | application/pdf | |
| dc.identifier | archive/lib.dr.iastate.edu/chem_pubs/312/ | |
| dc.identifier.articleid | 1326 | |
| dc.identifier.contextkey | 7922878 | |
| dc.identifier.s3bucket | isulib-bepress-aws-west | |
| dc.identifier.submissionpath | chem_pubs/312 | |
| dc.identifier.uri | https://dr.lib.iastate.edu/handle/20.500.12876/14760 | |
| dc.language.iso | en | |
| dc.source.bitstream | archive/lib.dr.iastate.edu/chem_pubs/312/0-L_1998_Gordon_ComputationalStudy.pdf|||Fri Jan 14 23:31:36 UTC 2022 | |
| dc.source.bitstream | archive/lib.dr.iastate.edu/chem_pubs/312/1998_Gordon_ComputationalStudy.pdf|||Fri Jan 14 23:31:38 UTC 2022 | |
| dc.source.uri | 10.1021/ja9722077 | |
| dc.subject.disciplines | Chemistry | |
| dc.title | A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion | |
| dc.type | article | |
| dc.type.genre | article | |
| dspace.entity.type | Publication | |
| relation.isAuthorOfPublication | 1a5927c0-5a5f-440e-86e0-9da8dc6afda0 | |
| relation.isOrgUnitOfPublication | 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11 |