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Title: Computed thermodynamic stabilities of silylium Lewis base adducts

We report a computational study of the transfer of silylium from phosphine to heteroatom containing Lewis bases including ethers, phosphines, and amines.
Authors:
 [1] ; ORCiD logo [1]
  1. Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, USA
Publication Date:
Grant/Contract Number:
FG02-05ER15630
Type:
Publisher's Accepted Manuscript
Journal Name:
Organic & Biomolecular Chemistry
Additional Journal Information:
Journal Name: Organic & Biomolecular Chemistry Journal Volume: 16 Journal Issue: 13; Journal ID: ISSN 1477-0520
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1434086

Roselli, Christina A., and Gagné, Michel R.. Computed thermodynamic stabilities of silylium Lewis base adducts. United Kingdom: N. p., Web. doi:10.1039/C8OB00354H.
Roselli, Christina A., & Gagné, Michel R.. Computed thermodynamic stabilities of silylium Lewis base adducts. United Kingdom. doi:10.1039/C8OB00354H.
Roselli, Christina A., and Gagné, Michel R.. 2018. "Computed thermodynamic stabilities of silylium Lewis base adducts". United Kingdom. doi:10.1039/C8OB00354H.
@article{osti_1434086,
title = {Computed thermodynamic stabilities of silylium Lewis base adducts},
author = {Roselli, Christina A. and Gagné, Michel R.},
abstractNote = {We report a computational study of the transfer of silylium from phosphine to heteroatom containing Lewis bases including ethers, phosphines, and amines.},
doi = {10.1039/C8OB00354H},
journal = {Organic & Biomolecular Chemistry},
number = 13,
volume = 16,
place = {United Kingdom},
year = {2018},
month = {1}
}

Works referenced in this record:

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
journal, March 1972
  • Hehre, W. J.; Ditchfield, R.; Pople, J. A.
  • The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261
  • DOI: 10.1063/1.1677527