A Method for the Rapid and Simple Measurement of the Magnitude and Relative Sign of 1H-19F Coupling Constants

被引：9

作者：

Espinosa, Juan F. ^{[1
]}

Broughton, Howard ^{[1
]}

机构：

[1] Ctr Invest Lilly, Madrid 28108, Spain

来源：

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY | 2013年 / 2013卷 / 30期

关键词：

NMR spectroscopy; Fluorine; Hydrogen; F-19; FLUORINE; SCALAR;

D O I：

10.1002/ejoc.201300611

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A novel methodology based on a carbon-selective 1D HSQC experiment is proposed for the determination of H-1-F-19 coupling constants. The method offers rapid access to H-1-F-19 coupling constants that cannot be directly measured from the H-1 NMR spectrum due to the complexity and/or broadening of the proton signals or because the values are very small. As an additional benefit, the method also provides the relative sign of the H-1-F-19 coupling constant.

引用

收藏

页码：6973 / 6978

页数：6

相关论文

共 21 条

[1] Determination of size and sign of hetero-nuclear coupling constants from 2D 19F-13C correlation spectra [J].

Ampt, Kirsten A. M. ;

Aspers, Ruud L. E. G. ;

Dvortsak, Peter ;

van der Werf, Ramon M. ;

Wijmenga, Sybren S. ;

Jaeger, Martin .

JOURNAL OF MAGNETIC RESONANCE, 2012, 215 :27-33

[2]

[Anonymous], TOPSPIN VERS 2 0

[3] Applications of 19F multidimensional NMR [J].

Battiste, J ;

Newmark, RA .

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2006, 48 (01) :1-23

[4] RELATIVE SIGNS OF NMR SPIN COUPLING-CONSTANTS BY TWO-DIMENSIONAL FOURIER-TRANSFORM SPECTROSCOPY [J].

BAX, A ;

FREEMAN, R .

JOURNAL OF MAGNETIC RESONANCE, 1981, 45 (01) :177-181

[5]

Brey W. S., 1996, ENCY NUCL MAGNETIC R, V3, P2063

[6]

Claridge T.D.W., 1999, High-Resolution NMR Technology in Organic Chemistry

[7] Calculation of nuclear spin-spin coupling constants of molecules with first and second row atoms in study of basis set dependence [J].

Deng, Wei ;

Cheeseman, James R. ;

Frisch, Michael J. .

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2006, 2 (04) :1028-1037

[8]

Dolbier W.R., 2009, Guide to Fluorine NMR for Organic Chemists

[9] FLUORINE COUPLING-CONSTANTS [J].

EMSLEY, JW ;

PHILLIPS, L ;

WRAY, V .

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 1976, 10 :83-756

[10] Measurement of long-range proton-carbon coupling constants from pure in-phase 1D multiplets [J].

Espinosa, Juan F. ;

Vidal, Paloma ;

Parella, Teodor ;

Gil, Sergi .

MAGNETIC RESONANCE IN CHEMISTRY, 2011, 49 (08) :502-507