205Tl–1H spin–spin coupling constants in the1H nuclear magnetic resonance spectra of substituted arylthallium dichlorides

1972 ◽  
pp. 188-192 ◽  
Author(s):  
J. P. Maher ◽  
M. Evans ◽  
M. Harrison
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Nuclear Magnetic Resonance Spectra ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

THE ANALYSIS OF NUCLEAR MAGNETIC RESONANCE SPECTRA: I. SYSTEMS OF TWO AND THREE NUCLEI

1957 ◽  
Vol 35 (1) ◽  
pp. 67-83 ◽  
Author(s):  
H. J. Bernstein ◽  
J. A. Pople ◽  
W. G. Schneider
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Resonance Signal ◽  
Nuclear Magnetic Resonance Spectra ◽  
Order Of Magnitude ◽  
Spin Coupling Constants ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

This paper is concerned with the general problem of the interpretation and analysis of nuclear magnetic resonance spectra of systems in which chemical shift and spin-coupling constants are of the same order of magnitude. Only nuclei of spin 1/2 are considered. Detailed methods are developed for:(a) Two chemically non-equivalent nuclei of the same species (written AB),(b) Three nuclei of the same species, two of which are equivalent (written AB2),(c) Three nuclei (ABX), two of which are of the same species (AB) and the third (X) is either a different species or has a resonance signal well separated from A and B.Proton resonance spectra of S-guaiazulene, 2,6-lutidine, and 2,3-lutidine are reported and used as examples of the methods of analysis.

High-resolution nuclear-magnetic-resonance spectra of hydrocarbon groupings I. Some dichloro-propenes

1959 ◽  
Vol 252 (1271) ◽  
pp. 488-505 ◽  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Resolution ◽  
Resonance Spectrum ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Nuclear Magnetic Resonance Spectra ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling ◽  
Nuclear Magnetic

An analysis has been made of the high-resolution nuclear-magnetic-resonance spectrum given by the hydrogen nuclei of 2:3-dichloropropene-l and cisand trans 1:3-dichloropropene-1. The spectra at 40 Mc/s of the 1:3-dichloropropenes were analyzed by means of the theory for ABX 2 developed here; the 16·2 Mc/s spectra were analyzed according to the ABC 2 theory by means of a digital computer. It is concluded that the ‘long-range’ spin-spin coupling constants between hydrogen nuclei on carbon atoms 1 and 3 of the 1 : 3-dichloropropenes are of opposite sign to the remainder. A correlation of these results with earlier work on butene-1 by Alexander (1958) leads to analogous conclusions for this molecule also.

Carbon-13 nuclear magnetic resonance studies of (Z)-5-fluoro-2-methyl-1-{[p-(methylsulfinyl)phenyl] methylene}-1H-indene-3-acetic acid (sulindac) and some related compounds

1978 ◽  
Vol 56 (16) ◽  
pp. 2129-2133 ◽  
Author(s):  
Alan Wilmot Douglas
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Acetic Acid ◽  
Magnetic Resonance ◽  
Nuclear Spin ◽  
Substituent Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Nuclear Magnetic Resonance Spectra ◽  
Spin Coupling Constants ◽  
Nuclear Magnetic

Carbon-13 nuclear magnetic resonance spectra have been obtained and fully assignee for a number of 2-methyl-1-{[p-(methylthio) or -(methylsulfinyl}phenyl]methylene}-1H-indene-3- acetic acid derivatives, including the potent anti-inflammatory compound sulindac, 1Z. Paired E and Z isomers were studied along with the sulindac sodium salt and ethyl ester in the Z series. Variations in steric crowding in E vs. Z isomers produce chemical shift effects which alternate with the number of intervening bonds. Fluorine substituent effects and 19F nuclear spin coupling to 13C nuclei, second-order features in off-resonance proton-decoupled spectra, and values of long-range 13CH nuclear spin coupling constants have been employed in making a complete set of assignments.

ORGANIC AND BIOLOGICAL SPECTROCHEMICAL STUDIES: XXII. THE INFRARED, ULTRAVIOLET, AND NUCLEAR MAGNETIC RESONANCE SPECTRA OF SOME SUBSTITUTED 2-INDANONES AND REFERENCE COMPOUNDS

1966 ◽  
Vol 44 (7) ◽  
pp. 759-769 ◽  
Author(s):  
Emil J. Moriconi ◽  
John P. St. George ◽  
W. F. Forbes
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Infrared Region ◽  
Spin Coupling ◽  
Nuclear Magnetic Resonance Spectra ◽  
Two Peaks ◽  
Spin Spin Coupling ◽  
Infrared Data ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

Infrared, ultraviolet, and nuclear magnetic resonance spectra of the following compounds are reported: 2-indanone (I), trans- and cis-hexahydro-2-indanone (V and XI), 1-chloro-2-indanone-1,3,3-d3 (III), 1-bromo-2-indanone-1,3,3-d3 (IV), 1-chloro-trans-hexahydro-2-indanone (VII), 1-bromo-trans-hexahydro-2-indanone (VIII), some deuterated forms of these compounds, 2-chlorocyclohexanone-2,6,6-d3, and 2-bromocyclohexanone-2,6,6-d3.2-Indanone and trans-hexahydro-2-indanone each display two peaks in the carbonyl infrared region with intensity ratios of approximately 40:1. The origin of these doublets is discussed.Nuclear magnetic resonance spectra were determined to indicate the presence or absence of ring mobility, and spin–spin coupling data were used to support some of the conclusions deduced from the infrared data for some of the compounds.

13C nuclear magnetic resonance spectra of 3,6-disubstituted pyridazines

1991 ◽  
Vol 69 (6) ◽  
pp. 972-977 ◽  
Author(s):  
Gottfried Heinisch ◽  
Wolfgang Holzer
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Molecular Orbital Calculations ◽  
Nuclear Magnetic Resonance Spectra ◽  
13C Nuclear Magnetic Resonance ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

The 13C nuclear magnetic resonance spectra of 17 3,6-disubstituted pyridazine derivatives have been systematically analyzed. Chemical shifts and various 13C, 1H coupling constants are reported. Attempts were made to correlate these data with results obtained from semiempirical molecular orbital calculations as well as with substituent electronegativities and Taft's substituent constants σI and σR0. Key words: 3,6-disubstituted pyridazines, 13C NMR spectroscopy, 13C, 1H spin coupling constants.

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