Ab Initio/GIAO-CCSD(T) Calculated 13C–11B NMR Chemical Shift Relationships in Isoelectronic Hypercoordinate Carbonium and Boronium As Well As Carbenium and Borenium Ions-Reference-Cited by-同舟云学术

Ab Initio/GIAO-CCSD(T) Calculated 13C–11B NMR Chemical Shift Relationships in Isoelectronic Hypercoordinate Carbonium and Boronium As Well As Carbenium and Borenium Ions

Published:2013-05-22 Issue:22 Volume:117 Page:4664-4668
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rasul Golam¹,Prakash G. K. Surya¹,Olah George A.¹

Affiliation:

1. Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, University Park, Los Angeles, California 90089-1661, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp400754j

Reference44 articles.

1. Ab initio/GIAO-MP2-calculated structures and 11B-13C NMR chemical shift relationship in hypercoordinate onium-carbonium dications and isoelectronic onium-boronium cations

2. Correlations between carbon-13 and boron-11 chemical shifts. IV. Carbenium ions and their trigonal boron analogs

3. Kernresonanzspektroskopische Untersuchungen an Borverbindungen, VIII. Vergleichende Betrachtungen von 11 B‐ und 14 N‐Kernresonanzdaten dreifach Koordinierte Bor‐Verbindungen mit 13 C‐ und 14 N‐Kernresonanzdaten von Carbonsäure‐derivaten und Carbonium‐Ionen

4. Prakash, G. K. S.; Rasul, G.; Yudin, A. K.; Williams, R. E.InBorane, Carborane, Carbocation Continuum;Casanova, J., Ed.Wiley-Interscience,New York; Chapter 8, pp147–160.

5. Williams, R. E.; Prakash, G. K. S.; Field, L. D.; Olah, G. A.InAdvances in Boron and Boranes;Liebman, J. F.; Greenberg, A.; Williams, R. E., Eds.VCH:New York, 1988; pp191–224.

Cited by 5 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. Getaway from the Geometry Factor Error in the Molecular Property Calculations: Efficient pecG-n (n = 1, 2) Basis Sets for the Geometry Optimization of Molecules Containing Light p Elements;Journal of Chemical Theory and Computation;2024-07-29

2. Computational ¹ H and ¹³ C NMR in structural and stereochemical studies;Magnetic Resonance in Chemistry;2022-05-31

3. Computational NMR of charged systems;Magnetic Resonance in Chemistry;2021-09-08

4. Convergence of nuclear magnetic shieldings and one-bond 1 J(11 B1 H) indirect spin-spin coupling constants in small boron molecules;Magnetic Resonance in Chemistry;2018-02-12

5. Benchmarking quantum mechanical calculations with experimental NMR chemical shifts of 2-HADNT;Journal of Molecular Structure;2015-04