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Photoelectron spectroscopy of heterocycles. Azaindenes and azaindolizines
Author(s) -
Kovać B.,
Klasinc L.,
Stanovnik B.,
Tišler M.
Publication year - 1980
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570170413
Subject(s) - pyridazine , chemistry , indazole , benzimidazole , pyridine , lone pair , indole test , spectral line , crystallography , stereochemistry , computational chemistry , medicinal chemistry , molecule , organic chemistry , physics , astronomy
The HeI photoelectron (PE) spectra of indole ( 1 ), benzimidazole ( 2 ), indazole ( 3 ), 3‐chloro‐indazole ( 4 ), imidazo[1,2‐ b ]pyridazine ( 5 ), 6‐chloroimidazo[1,2‐ b ]pyridazine ( 6 ), 2‐phenyl‐imidazo[1,2‐ b ]pyridazine ( 7 ), 2‐phenyl‐6‐chloroimidazo[1,2‐ b ]pyridazine ( 8 ), tetrazolo[1,2‐ a ]‐pyridine ( 9 ) and 8‐cyanotetrazolo[1,5‐ a ]pyridine ( 10 ) have been recorded. The spectra of 2–10 are of special interest for studying lone pair interactions. The assignment of the PE spectra submitted here, conjointly with the electronic structure of the studied compounds is discussed on the basis of molecular orbital calculations.