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Short Communications. Biphenyl‐3,4′‐Dinitrene
Author(s) -
Minato Masaki,
Lahti Paul M.
Publication year - 1991
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610040708
Subject(s) - chemistry , biphenyl , planar , ground state , photodissociation , matrix (chemical analysis) , computational chemistry , molecular physics , atomic physics , photochemistry , organic chemistry , physics , computer graphics (images) , chromatography , computer science
Photolysis of biphenyl‐3,4′ ‐diazide in a rigid glassy matrix at 77 K yields quintet state biphenyl‐3,4′ ‐dinitrene with zero‐field splitting parameters of | D / hc ‐ = 0.153 cm −1 and | E / hc | = 0.019 cm −1 determined by electron spin resonance spectroscopic studies. Curie plot studies are consistent with assigning the quintet to be the ground state in this species. This finding confirms qualitative connectivity‐based predictions for this general connectivity type of openshell system, and is in qualitative agreement with spectral INDO‐CI computational predictions for both planar and twisted geometries of the dinitrene.