Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F)NMR Couplings: A Comparison of SOPPA and DFT Methods

Verónica Barone; Patricio F. Provasi; Juan E. Peralta; James P: Snyder; Stephan P. A. Sauer; Rubén H. Contreras

doi:10.1021/jp0300851

Substituent Effects on Scalar ²J(¹⁹F,¹⁹F) and ³J(¹⁹F,¹⁹F)NMR Couplings: A Comparison of SOPPA and DFT Methods

Verónica Barone, Patricio F. Provasi, Juan E. Peralta, James P: Snyder, Stephan P. A. Sauer, Rubén H. Contreras

Department of Chemistry

85 Citations (Scopus)

Original language	English
Journal	Journal of Physical Chemistry A
Volume	107
Issue number	23
Pages (from-to)	4748-4754
ISSN	1089-5639
DOIs	https://doi.org/10.1021/jp0300851
Publication status	Published - 2003

Access to Document

10.1021/jp0300851

http://pubs.acs.org/cgi-bin/abstract.cgi/jpcafh/2003/107/i23/abs/jp0300851.html

Cite this

@article{13fe8bf074c511dbbee902004c4f4f50,

title = "Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F)NMR Couplings: A Comparison of SOPPA and DFT Methods",

author = "Ver{\'o}nica Barone and Provasi, {Patricio F.} and Peralta, {Juan E.} and Snyder, {James P:} and Sauer, {Stephan P. A.} and Contreras, {Rub{\'e}n H.}",

year = "2003",

doi = "10.1021/jp0300851",

language = "English",

volume = "107",

pages = "4748--4754",

journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "23",

}

TY - JOUR

T1 - Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F)NMR Couplings: A Comparison of SOPPA and DFT Methods

AU - Barone, Verónica

AU - Provasi, Patricio F.

AU - Peralta, Juan E.

AU - Snyder, James P:

AU - Sauer, Stephan P. A.

AU - Contreras, Rubén H.

PY - 2003

Y1 - 2003

U2 - 10.1021/jp0300851

DO - 10.1021/jp0300851

M3 - Journal article

SN - 1089-5639

VL - 107

SP - 4748

EP - 4754

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 23

ER -