Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of 11B NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4]− Systems-Reference-Cited by-同舟云学术

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Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of 11B NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4]− Systems

Published:2017-12-08 Issue:50 Volume:121 Page:9631-9637
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Macháček Jan¹,Bühl Michael²,Fanfrlík Jindřich³,Hnyk Drahomír¹^ORCID

Affiliation:

1. Institute of Inorganic Chemistry of the Czech Academy of Sciences, v.v.i., 1001, CZ-250 68 Husinec-Řež, Czech Republic

2. School of Chemistry, University of St. Andrews, North Haugh, St. Andrews, Fife KY16 9ST, United Kingdom

3. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-66 10 Prague 6, Czech Republic

Funder

Grantov? Agentura Cesk? Republiky

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b09831

Reference51 articles.

1. Challenges and Advances in Computational Chemistry and Physics;Hnyk D.,2015

2. Stereochemistry of free boranes and heteroboranes from electron scattering and model chemistries

3. Cationiccloso-carboranes 2. Do computed11B and13C NMR chemical shifts support their experimental availability?

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1. Accurate prediction of ¹¹B NMR chemical shift of BODIPYs via machine learning;Physical Chemistry Chemical Physics;2023

2. Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo-1-SeB₉Cl₉ and the crystal structure of closo-SeB₁₁Cl₁₁;Dalton Transactions;2023

3. Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer;Inorganica Chimica Acta;2022-08

4. Merging Boron with Nitrogen–Oxygen Bonds: A Review on BON Heterocycles;Topics in Current Chemistry;2021-02-05

5. Computational Methods in Organometallic Chemistry;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2021

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