/sup 13/C and /sup 1/H HMR spectra of porphyrin dianions and their charge distribution
The /sup 1/H and /sup 13/C NMR spectra of a number of zinc complexes of meso-substituted porphyrins and their dianions have been investigated. The upfield shifts of the signals of all the protons in the spectra of the dianions are caused by the effects of the paramagnetic ring current. A linear relationship of the calculated electron density with both the experimental chemical shifts of the /sup 13/C nuclei in the original porphyrins and the shifts calculated in the framework of the mean excitation energy has been revealed. Differences in the behavior of the signals of the ..cap alpha..-, ..beta..-, and meso-carbon atoms have been discovered upon the formation of the dianions, and they have been attributed to the influence of the electronic charge, the change in the mean excitation energy, and the paramagnetic ring currents.
- Research Organization:
- Institute of Physics, Minsk (USSR)
- OSTI ID:
- 6182723
- Journal Information:
- Theor. Exp. Chem. (Engl. Transl.); (United States), Journal Name: Theor. Exp. Chem. (Engl. Transl.); (United States) Vol. 24:1; ISSN TEXCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMIC MODELS
CARBON 13
CARBON ISOTOPES
CARBOXYLIC ACIDS
CHARGE DISTRIBUTION
CHEMICAL SHIFT
COMPLEXES
CURRENTS
DEUTERIUM COMPOUNDS
ELECTRIC CURRENTS
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
EVEN-ODD NUCLEI
EXCITATION
FURANS
HETEROCYCLIC ACIDS
HETEROCYCLIC COMPOUNDS
HYDROGEN 1
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
ISOTOPES
LCAO METHOD
LIGHT NUCLEI
MAGNETIC RESONANCE
MATHEMATICAL MODELS
MOLECULAR ORBITAL METHOD
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ODD-EVEN NUCLEI
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PERTURBATION THEORY
PORPHYRINS
RESONANCE
RING CURRENTS
SELF-CONSISTENT FIELD
SPECTRA
STABLE ISOTOPES
TETRAHYDROFURAN
ZINC COMPLEXES