/sup 127/I nuclear quadrupole resonance spectra and electronic structure of iodobenzene derivatives

Journal Article · Tue Oct 01 00:00:00 EDT 1985 · Dokl. Chem. (Engl. Transl.); (United States)

OSTI ID:6143797

Semin, G K; Bryukhova, E V; Gushchin, S I; Iroshnikova, N G; Stanko, V I

Repeated attempts have been made to describe the behavior of the nuclear quadrupole resonance (NQR) frequencies of di- and polysubstituted benzenes. In this paper the authors study the complete /sup 127/I NQR spectra of a wide circle of species at the standard temperature of 77/sup 0/K and report a determination of the variations in the quadrupole coupling constants and the asymmetry parameter for the substituents in a series of ortho-, meta-, and para-substituted iodobenzene. This is the first successful separate determination of the quadrupole coupling constants and the asymmetry parameter for iodobenzene derivatives and the first separate correlation analysis of these parameters for the purpose of distinguishing the inductive and resonance contributions to the changes and determining the interaction between the asymmetry parameter and the resonance constant.

• Research Organization: A.N. Nesmeyanov Institute of Heterooranic Compounds, Academy of Sciences of the USSR, Moscow
• OSTI ID: 6143797
• Journal Information: Dokl. Chem. (Engl. Transl.); (United States), Journal Name: Dokl. Chem. (Engl. Transl.); (United States) Vol. 281:4; ISSN DKCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400104* -- Spectral Procedures-- (-1987)
AROMATICS
BENZENE
CHEMICAL REACTIONS
COUPLING CONSTANTS
DERIVATIZATION
ELECTRONIC STRUCTURE
HALOGEN COMPOUNDS
HYDROCARBONS
INDUCTION
INTERMEDIATE MASS NUCLEI
IODINE 127
IODINE COMPOUNDS
IODINE ISOTOPES
ISOTOPES
NUCLEAR QUADRUPOLE RESONANCE
NUCLEI
ODD-EVEN NUCLEI
ORGANIC COMPOUNDS
QUADRUPOLE MOMENTS
RESONANCE
STABLE ISOTOPES