The role of inductive, hyperconjugative and d-orbital effects in organosilicon compounds

T. Veszprémi, J. Nagy

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The inductive hyperconjugative and d-orbital effects of PhSiMe3, PhSiH3, PhSiF3 and of the respective carbon analogues have been investigated. Comparisons of calculated (CNDO/S method) and observed shifts for HOMO and LUMO levels indicate that all three effects have important roles in the organosilicon compounds. The relative importance of the effects depends on the compound; e.g. in PhSiMe3 and PhSiH3 hyperconjugation is the main effect, but in PhSiF3 the effect of the d-orbitals is more important. The bathochromic shift in the UV transition of organosilicon compounds is not evident for the d-orbital effect.

Original languageEnglish
Pages (from-to)41-47
Number of pages7
JournalJournal of Organometallic Chemistry
Volume255
Issue number1
DOIs
Publication statusPublished - Oct 11 1983

Fingerprint

Organosilicon Compounds
orbitals
Carbon
shift
analogs
carbon

ASJC Scopus subject areas

  • Biochemistry
  • Chemical Engineering (miscellaneous)
  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Science (miscellaneous)
  • Materials Chemistry

Cite this

The role of inductive, hyperconjugative and d-orbital effects in organosilicon compounds. / Veszprémi, T.; Nagy, J.

In: Journal of Organometallic Chemistry, Vol. 255, No. 1, 11.10.1983, p. 41-47.

Research output: Contribution to journalArticle

@article{d69715f6846644e8ae432bc5a5c958ec,
title = "The role of inductive, hyperconjugative and d-orbital effects in organosilicon compounds",
abstract = "The inductive hyperconjugative and d-orbital effects of PhSiMe3, PhSiH3, PhSiF3 and of the respective carbon analogues have been investigated. Comparisons of calculated (CNDO/S method) and observed shifts for HOMO and LUMO levels indicate that all three effects have important roles in the organosilicon compounds. The relative importance of the effects depends on the compound; e.g. in PhSiMe3 and PhSiH3 hyperconjugation is the main effect, but in PhSiF3 the effect of the d-orbitals is more important. The bathochromic shift in the UV transition of organosilicon compounds is not evident for the d-orbital effect.",
author = "T. Veszpr{\'e}mi and J. Nagy",
year = "1983",
month = "10",
day = "11",
doi = "10.1016/0022-328X(83)80171-5",
language = "English",
volume = "255",
pages = "41--47",
journal = "Journal of Organometallic Chemistry",
issn = "0022-328X",
publisher = "Elsevier",
number = "1",

}

TY - JOUR

T1 - The role of inductive, hyperconjugative and d-orbital effects in organosilicon compounds

AU - Veszprémi, T.

AU - Nagy, J.

PY - 1983/10/11

Y1 - 1983/10/11

N2 - The inductive hyperconjugative and d-orbital effects of PhSiMe3, PhSiH3, PhSiF3 and of the respective carbon analogues have been investigated. Comparisons of calculated (CNDO/S method) and observed shifts for HOMO and LUMO levels indicate that all three effects have important roles in the organosilicon compounds. The relative importance of the effects depends on the compound; e.g. in PhSiMe3 and PhSiH3 hyperconjugation is the main effect, but in PhSiF3 the effect of the d-orbitals is more important. The bathochromic shift in the UV transition of organosilicon compounds is not evident for the d-orbital effect.

AB - The inductive hyperconjugative and d-orbital effects of PhSiMe3, PhSiH3, PhSiF3 and of the respective carbon analogues have been investigated. Comparisons of calculated (CNDO/S method) and observed shifts for HOMO and LUMO levels indicate that all three effects have important roles in the organosilicon compounds. The relative importance of the effects depends on the compound; e.g. in PhSiMe3 and PhSiH3 hyperconjugation is the main effect, but in PhSiF3 the effect of the d-orbitals is more important. The bathochromic shift in the UV transition of organosilicon compounds is not evident for the d-orbital effect.

UR - http://www.scopus.com/inward/record.url?scp=1842782224&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=1842782224&partnerID=8YFLogxK

U2 - 10.1016/0022-328X(83)80171-5

DO - 10.1016/0022-328X(83)80171-5

M3 - Article

AN - SCOPUS:1842782224

VL - 255

SP - 41

EP - 47

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

SN - 0022-328X

IS - 1

ER -