Transmission of Electronic Substituent Effects across the 1,12-Dicarba-closo-dodecaborane Cage: A Computational Study Based on Structural Variation, Atomic Charges, and 13C NMR Chemical Shifts-Reference-Cited by-同舟云学术

Transmission of Electronic Substituent Effects across the 1,12-Dicarba-closo-dodecaborane Cage: A Computational Study Based on Structural Variation, Atomic Charges, and 13C NMR Chemical Shifts

Published:2014-12-24 Issue:1 Volume:119 Page:205-214
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Campanelli Anna Rita¹,Domenicano Aldo²,Hnyk Drahomír³

Affiliation:

1. Department of Chemistry, Sapienza − University of Rome, 00185 Rome, Italy

2. Department of Physical and Chemical Sciences, University of L’Aquila, 67100 L’Aquila, Italy

3. Institute of Inorganic Chemistry, Academy of Sciences of the Czech Republic, 250 68 Husinec-Řež, Czech Republic

Funder

Czech Science Foundation

Dipartimento di Chimica, Sapienza Università di Roma

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5106407

Reference29 articles.

1. Dicarba-closo-dodecaboranes C2B10H12 and their derivatives

2. Three-Dimensional Aromaticity in Polyhedral Boranes and Related Molecules

3. Cotton, F. A.; Wilkinson, G.; Murillo, C. A.; Bochmann, M.Advanced Inorganic Chemistry,6th ed.Wiley-Interscience:New York, 1999; p153.

4. Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

5. Polar Effects and Structural Variation in 4-Substituted 1-Phenylbicyclo[2.2.2]octane Derivatives: A Quantum Chemical Study

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