Pseudohalogen chemistry Part 14. Quantitative treatment of the ortho and other substituent effects in the NMR and IR spectra of 2- and 2,4-substituted thiocyanatobenzenes

1997 ◽  
Vol 53 (3) ◽  
pp. 361-374 ◽  
Author(s):  
R.G. Guy ◽  
R. Lau ◽  
A.U. Rahman ◽  
F.J. Swinbourne
Keyword(s):  
Ir Spectra ◽  
Substituent Effects ◽  
Quantitative Treatment

ChemInform Abstract: Preparation of 3-Cyano-4-(R-vinyl)-5,5-dimethyl-δ3-butenolides and Substituent Effects on Their IR Spectra.

ChemInform ◽  
1989 ◽  
Vol 20 (40) ◽  
Author(s):  
A. PERJESSY ◽  
A. A. AVETISYAN ◽  
A. A. AKNAZARYAN ◽  
G. S. MELIKYAN
Keyword(s):  
Ir Spectra ◽  
Substituent Effects

The molecular conformations of the stereoisomers of 4-methyl-5,6-benzo-2-oxo-1,3,2-dioxathiepin and of the 4,7-dimethyl derivative

1983 ◽  
Vol 61 (10) ◽  
pp. 2244-2253 ◽  
Author(s):  
A. Lachapelle ◽  
M. St-Jacques ◽  
A. C. Guimaraes ◽  
P. De Almeida
Keyword(s):  
Low Temperature ◽  
Ir Spectroscopy ◽  
Ir Spectra ◽  
Nmr Spectra ◽  
Dynamic Properties ◽  
Substituent Effects ◽  
Spectroscopy Analysis ◽  
Molecular Conformations ◽  
Methyl Group ◽  
Stretching Vibration

The conformational and dynamic properties of the stereoisomers of 4-methyl-5,6-benzo-2-oxo-1,3,2-dioxathiepin (5) and of the 4,7-dimethyl derivative (6) have been investigated by 1H and 13C dnmr methods, as well as by ir spectroscopy. Analysis of the nmr spectra at low temperature (−125 °C), together with the conformational interpretation of the stretching vibration bands of the S = O bond in the ir spectra, indicate that the most stable conformations detected for solutions in CHF2Cl are C-a (82%) and TB-t-Mec (18%) for 5a, TB-c-Mec, (96%) and TB-c-Mea, (4%) for 5b, C-a for 6a, TB-t-Mec, c-Mec, for 6b and C-e for 6c. The substituent effects of a methyl group at the benzylic position on both the conformational and dynamic properties of the seven-membered sulfite are discussed.

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