Possible structures for C₂H₆⁺ and B₂H₆^- E.S.R. evidence and UHF calculations

T.A. Claxton Department of Chemistry, The University, Leicester, LE1 7RH

R.E. Overill Department of Chemistry, The University, Leicester, LE1 7RH

M.C.R. Symons Department of Chemistry, The University, Leicester, LE1 7RH

Pages 701-706 | Received 03 Aug 1973, Published online: 22 Aug 2006

Cite this article
https://doi.org/10.1080/00268977400100611

Sample our Mathematics & Statistics journals, sign in here to start your FREE access for 14 days

References
Citations
Metrics
Reprints & Permissions
Read this article /doi/epdf/10.1080/00268977400100611?needAccess=true

Abstract

Experimental evidence for the structure of the isoelectronic radical ions, C₂H₆ ⁺ and B₂H₆ ^-, is reviewed and discussed. Recent E.S.R. data for the anion B₂H₆ ^- are analysed and the results are interpreted to favour a staggered D _3d structure rather than the bridged D _2h structure of the parent molecule. Ab initio unrestricted Hartree-Fock calculations after quartet state annihilation on B₂H₆ ^- support this conclusion.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related Research Data

Optimized Minimum‐Basis‐Set SCF Calculations on BH3 and B2H6

Source: AIP Publishing

Electron Spin Resonance Study of Molecular Anions Generated in Argon Matrix at 4°K: ESR Spectrum of B2H6−

Source: AIP Publishing

The Hexacyanodiborane(6) Dianion [B2(CN)6]2−

Source: (:unav)

Electronic spectra of paraffin hydrocarbons

Source: Informa UK Limited

Confirmed by X-ray Crystallography: The B⋅B One-Electron σ Bond

Source: Wiley

Reactions of C2H6+: Formation of the (C2H6)2+ Ion

Source: AIP Publishing

Gaussian‐Type Functions for Polyatomic Systems. I

Source: AIP Publishing

Theory of the ionization of ethane

Source: Informa UK Limited

ESR Spectra of Positive Holes in Irradiated Alkane Glasses

Source: AIP Publishing

E.S.R. spectra of the radicals produced in γ-irradiated diborane in the solid state

Source: Informa UK Limited

Geometry of Molecules. II. Diborane and Ethane

Source: AIP Publishing

E.S.R. spectrum of BH3 -· in gamma-irradiated tetramethylammonium borohydride

Source: Informa UK Limited

One-electron bonds are not "half-bonds".