Analysis of the Electronic Origin of the 1JCH Spin−Spin Coupling Trend in 1-X-Cyclopropanes: Experimental and DFT Study-Reference-Cited by-同舟云学术

Analysis of the Electronic Origin of the 1JCH Spin−Spin Coupling Trend in 1-X-Cyclopropanes: Experimental and DFT Study

Published:2008-10-25 Issue:46 Volume:112 Page:11956-11959
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Neto Álvaro Cunha¹,Santos Francisco P. dos¹,Contreras Rubén H.¹,Rittner Roberto¹,Tormena Cláudio F.¹

Affiliation:

1. Organic Chemistry Department, Chemistry Institute, University of Campinas, P.O. Box 6154, Campinas, São Paulo, Brazil 13084-971, and Department of Physics, FCEyN, University of Buenos Aires and CONICET, Buenos Aires, Argentina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp8069805

Reference32 articles.

1. Transmission mechanisms of spin-spin coupling constants within theCHF approximation: Their study using inner projections of the polarization propagator

2. The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin-spin couplings

3. bContreras, R. H.; Giribet, C. G.; Ruiz de Azúa, M. C.; Ferraro, M. B.Electronic Origin of High Resolution NMR Parameters in Structure, Interactions, and Reactivity;Fraga, S., Ed.Elsevier:New York, 1992, Vol.77B, Cap. 7, p212;

4. Viewpoint 8 — polarization propagator analysis of spin-spin coupling constants

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