Exchange Rules for Diradical π-Conjugated Hydrocarbons
نویسندگان
چکیده
منابع مشابه
Disjoint Molecular Orbitals in Nonalternant Conjugated Diradical Hydrocarbons
The concept of disjoint NBMOs in diradical alternant hydrocarbons (AHs) is reviewed and extended to diradical nonalternant hydrocarbons (nonAHs). A valence-bond (VB) method for recognizing disjoint versus nondisjoint NBMOs (nonbonding molecular orbitals) in diradicals is presented. When circumscribed with hexagonal rings, disjoint diradicals produce nonradical polycyclic successors and nondisjo...
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ژورنال
عنوان ژورنال: Nano Letters
سال: 2019
ISSN: 1530-6984,1530-6992
DOI: 10.1021/acs.nanolett.9b01773