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2‐(p‐dimethylaminophenyl)indan‐1,3‐dione‐2‐yl radical: ENDOR and ESR studies and MNDO calculation
Author(s) -
Motyakin M. V.,
Pisarenko L. M.,
Schuler P.,
Stegmann H. B.
Publication year - 1995
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260330611
Subject(s) - mndo , chemistry , toluene , solvent , computational chemistry , population , electron paramagnetic resonance , nuclear magnetic resonance , molecule , organic chemistry , physics , demography , sociology
ENDOR and ESR spectra of the 2‐(p‐Dimethylaminophenyl)indan‐1,3‐dione‐2‐yl radical were measured in toluene and diethyl phthalate at 350 K. A solvent dependence of the coupling constants was observed. Using the MNDO method, the optimized structure of the radical and the spin population distribution were derived.