First-principles calculation of 11B solid-state NMR parameters of boron-rich compounds II: the orthorhombic phases MgB7 and MgB12C2 and the boron modification γ-B28-Reference-Cited by-同舟云学术

First-principles calculation of 11B solid-state NMR parameters of boron-rich compounds II: the orthorhombic phases MgB7 and MgB12C2 and the boron modification γ-B28

Published:2021 Issue:6 Volume:23 Page:3883-3897
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ludwig Martin¹²³⁴,Hillebrecht Harald¹²³⁴^ORCID

Affiliation:

1. Institut für Anorganische und Analytische Chemie

2. Albert-Ludwigs-Universität

3. 79104 Freiburg

4. Germany

Abstract

After referencing ¹¹B NMR spectra for molecular icosahedral boranes and the subsequent transfer to boron-rich borides of the α-rB₁₂ type, we show that NMR spectra of borides with four or five symmetry-independent boron atoms can also be calculated.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06073A

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