Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Heterocyclic Communications

Editor-in-Chief: Strekowski, Lucjan

Ed. by Baumstark, Alfons L. / Saczewski, Jaroslaw / Stephens, Chad / Yamada, Hidetoshi

6 Issues per year


IMPACT FACTOR 2016: 0.542
5-year IMPACT FACTOR: 0.652

CiteScore 2016: 0.73

SCImago Journal Rank (SJR) 2016: 0.247
Source Normalized Impact per Paper (SNIP) 2016: 0.541


Online
ISSN
2191-0197
See all formats and pricing
More options …
Volume 16, Issue 4-6 (Dec 2010)

Issues

A theoretical multinuclear NMR study of pyrazolylborates

Ibon Alkorta / José Elguero / Rosa M. Claramunt
  • Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Senda del Rey 9, E-28040 Madrid, Spain
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Concepción López
  • Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Senda del Rey 9, E-28040 Madrid, Spain
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Dionisia Sanz
  • Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Senda del Rey 9, E-28040 Madrid, Spain
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar

Abstract

The experimental chemical shifts and coupling constants of five borates of general formula BHnPz4–n [from the borohydride to tetrakis(pyrazol-1-yl)borate] anions were compared with calculations carried out at the B3LYP/6-311++G(d,p) level (GIAO for absolute shieldings), in general with satisfying results. The most stable conformations of pyrazolylborate anions are similar to those of neutral pyrazolylmethanes.

Keywords: B3LYP/6-311++G(d,p); coupling constants; GIAO; NMR; pyrazolylborates; pyrazolylmethanes

About the article

Corresponding author


Published in Print: 2010-12-01


Citation Information: Heterocyclic Communications, ISSN (Online) 2191-0197, ISSN (Print) 0793-0283, DOI: https://doi.org/10.1515/HC.2010.008.

Export Citation

Citing Articles

Here you can find all Crossref-listed publications in which this article is cited. If you would like to receive automatic email messages as soon as this article is cited in other publications, simply activate the “Citation Alert” on the top of this page.

[1]
Leonid B. Krivdin
Progress in Nuclear Magnetic Resonance Spectroscopy, 2017
[2]
Ibon Alkorta, Rosa M. Claramunt, Enrique Díez-Barra, José Elguero, Antonio de la Hoz, and Concepción López
Coordination Chemistry Reviews, 2017, Volume 339, Page 153
[3]
Lourdes Infantes, Rosa M. Claramunt, Dionisia Sanz, Ibon Alkorta, and José Elguero
Acta Crystallographica Section C Structural Chemistry, 2016, Volume 72, Number 11, Page 819
[4]
A. Lakshmipriya, Sachin Rama Chaudhari, Abhishek Shahi, E. Arunan, and N. Suryaprakash
Phys. Chem. Chem. Phys., 2015, Volume 17, Number 11, Page 7528

Comments (0)

Please log in or register to comment.
Log in