CHN2-: A Biradical Anion and a Potentially New Type of Reactive Intermediate
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The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).
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The Department of Chemistry was founded in 1880.
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1880-present
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- College of Liberal Arts and Sciences (parent college)
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Abstract
MCSCF calculations reveal that diazirinyl anion (1), its conventional Cs structure resulting from deprotonation of diazirine (c-CH2N2), is less stable than its open Czv isomer (2) in which the two nitrogens are no longer bound. The latter species represents a novel type of reactive intermediate, a biradical anion. It is calculated to have a large electron binding energy (0.80 eV) and is an experimentally attractive target. 02 theory has been used to provide the heats of formation of diazomethane and diazirine, two important compounds whose experimental energies are not well established.
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Reprinted (adapted) with permission from Journal of Physical Chemistry 99 (1995): 6548, doi:10.1021/j100017a040. Copyright 1995 American Chemical Society