The Electronic Structure of Borazine as seen by 10B, 11B, and 14N Nuclear Quadrupole Double Resonance-Reference-Cited by-同舟云学术

The Electronic Structure of Borazine as seen by 10B, 11B, and 14N Nuclear Quadrupole Double Resonance

Published:1986-02-01 Issue:1-2 Volume:41 Page:206-207
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Lötz A.¹,Voitländer J.¹,Smith J. A. S.²

Affiliation:

1. Institut für Physikalische Chemie, Universität München

2. King’s College (Kensington Campus), Campden Hill Road. London W 8 7AH, G reat Britain

Abstract

The nitrogen nuclear quadrupole coupling in borazine is reported and interpreted in combination with the previously measured boron coupling. A novel Townes-Dailey type of analysis was employed to obtain the electron distribution in borazine. A calculated π-donation of ~ 0.5 e from the nitrogen atom to the vacant π-orbital of boron is accompanied by a strong polarisation of the σ-skeleton, imparting a negative charge to nitrogen and a positive charge to boron.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-1986-1-235/pdf

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Recent Advances in 11B Solid-State Nuclear Magnetic Resonance Spectroscopy of Crystalline Solids;Annual Reports on NMR Spectroscopy;2018

2. The Calculation of Electric Field Gradients byab initioMethods, and Their Relationship to Experimental Nuclear Quadrupole Coupling Constants;Encyclopedia of Computational Chemistry;2005-07-15

3. References;Annual Reports on NMR Spectroscopy;1993

4. References;Landolt-Börnstein - Group III Condensed Matter

5. 4-1 - 4-67: Chymotrypsin - C3H4N2;Landolt-Börnstein - Group III Condensed Matter