Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 38(19), p. 25979-25988
DOI: 10.1039/c7cp05460b
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Optical and magnetic properties of antiaromatic porphyrinoids
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Abstract
Magnetic and spectroscopic properties of a number of formally antiaromatic carbaporphyrins, carbathiaporphyrins and isophlorins with 4n π electrons have been investigated at density functional theory and ab initio levels of theory.