Additivity of /sup 13/C-/sup 1/H and /sup 1/H-/sup 1/H spin-spin coupling constants in six-membered aromatic nitrogen-containing heterocycles

Journal Article · Wed Jan 01 00:00:00 EST 1986 · Chem. Heterocycl. Compd. (Engl. Transl.); (United States)

OSTI ID:7042926

Denisov, A Y; Manatyuk, V I; Shkuro, O P

We have analyzed proton-coupled /sup 13/C NMR and PMR spectra of pyridazine, pyrimidine, pyrazine, 1,3,5-triazine, and 1,2,4-triazine for one-molar solutions of the compounds in DMSO-D/sub 6/. Comparison of the values obtained for the /sup 13/C-/sup 1/H and /sup 1/H-/sup 1/H spin-spin coupling constants with the values calculated on the basis of the spinspin coupling constants in pyridine and benzene has shown that it is possible to predict the constants using linear additive equations. Substantial nonlinear deviations (5-6 Hz) are observed for /sup 1/ /SUP J/ CH when the carbon atom is located between two adjacent nitrogen atoms.

• Research Organization: Novosibirsk Institute of Organic Chemistry, Acad. of Sci., Novosibirsk
• OSTI ID: 7042926
• Journal Information: Chem. Heterocycl. Compd. (Engl. Transl.); (United States), Vol. 21:7
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CARBON
COUPLING CONSTANTS
HYDROGEN
PYRAZINES
NMR SPECTRA
PYRIDAZINES
PYRIMIDINES
TRIAZINES
BENZENE
CARBON 13
CHEMICAL BONDS
CHEMICAL SHIFT
DIAGRAMS
DMSO
HYDROGEN 1
J-J COUPLING
NITROGEN
QUANTITY RATIO
SPECTROMETERS
AROMATICS
AZINES
CARBON ISOTOPES
COUPLING
ELEMENTS
EVEN-ODD NUCLEI
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
HYDROGEN ISOTOPES
INTERMEDIATE COUPLING
ISOTOPES
LIGHT NUCLEI
MEASURING INSTRUMENTS
NONMETALS
NUCLEI
ODD-EVEN NUCLEI
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
SPECTRA
STABLE ISOTOPES
SULFOXIDES
400201* - Chemical & Physicochemical Properties