Journal ArticleDOI
Conformational effects in UV absorption spectra of tetrasilanes
TLDR
In this paper, a new third transition is found between the two previously known singlet transitions, and the transition energies are nearly independent of the dihedral angle, while intensities vary widely.About:
This article is published in Chemical Physics Letters.The article was published on 1997-05-30. It has received 59 citations till now. The article focuses on the topics: Dihedral angle & Singlet state.read more
Citations
More filters
Journal ArticleDOI
Conformations of Linear Chains. Systematics and Suggestions for Nomenclature
Josef Michl,Robert West +1 more
TL;DR: There are six categories of calculated favored dihedral angles in linear M(n)X(2n+2) chains and the Prelog-Klyne nomenclature is not helpful for classifying them, and the following labels and symbols are proposed.
Journal ArticleDOI
Conformation Control of Oligosilanes Based on Configurationally Constrained Bicyclic Disilane Units
Kohei Tamao,Hayato Tsuji,Masayoshi Terada,Masahiro Asahara,Shigehiro Yamaguchi,Akio Toshimitsu +5 more
Journal ArticleDOI
Induction of Helical Chirality in Linear Oligosilanes by Terminal Chiral Substituents
Journal ArticleDOI
σσ* Transition in anti,cisoid Alternating Oligosilanes: Clear-Cut Evidence for Suppression of Conjugation Effect by a cisoid Turn
TL;DR: On the basis of the UV absorption spectra of the anti,cisoid alternating oligosilanes, the first experimental clear-cut evidence was presented for the generally accepted idea that the sigma conjugation in polysilanes does not effectively extend through a tetrasilane fragment with a small dihedral angle such as a cisoid turn.
Journal ArticleDOI
Recent experimental and theoretical aspects of the conformational dependence of UV absorption of short chain peralkylated oligosilanes
TL;DR: In this paper, the conformation dependence of UV absorption of short chain peralkylated oligosilanes is surveyed and a similar conformational effect has been found for a series of hexasilane conformers.
References
More filters
Journal ArticleDOI
Studies of the conformation and packing of polysilanes
TL;DR: In this article, a series of symmetric and asymmetric poly(n-alkylsilanes) have been investigated to assess their minimum energy conformations, crystal packing, and, in the case of poly(di-n-tetradecylsilane) (PdnTDS), the conformation of the n-ALKyl side chains.
Journal ArticleDOI
Conformers of Saturated Chains: Matrix Isolation, Structure, IR and UV Spectra of n‐Si4Me10
TL;DR: In this article, it was shown that it is not the energy but the intensity of the lowest singlet excitation that changes dramatically as the SiSiSiSi Si dihedral angle is varied, as a result of an avoided crossing between sigma sigma* and sigma pi* states.
Journal ArticleDOI
Photophysics and potential-energy hypersurfaces of permethylated oligosilanes
TL;DR: In this paper, the potential energy surfaces of the ground and 1σσ* excited states of oligosilane chains, collected from experimental and theoretical sources, are discussed in terms of electronic structure and the mechanisms of bond and excitation delocalization.
Journal ArticleDOI
Singlet excitation in polysilanes : ab initio calculations on oligosilane models
V. Balaji,Josef Michl +1 more
TL;DR: In this article, the authors performed all-electron SCF-CI calculations with several basis sets for excited singlet states of the linear oligosilanes SinH2n+2, n = 2-5, in order to establish their nature as a function of chain length.