A diradical based on odd-electron σ-bonds

Wenbang Yang, Li Zhang, Dengmengfei Xiao, Rui Feng, Wenqing Wang, Sudip Pan, Yue Zhao, Lili Zhao (), Gernot Frenking () and Xinping Wang ()
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Wenbang Yang: Nanjing University
Li Zhang: Nanjing University
Dengmengfei Xiao: Nanjing Tech University
Rui Feng: Nanjing University
Wenqing Wang: Nanjing University
Sudip Pan: Nanjing Tech University
Yue Zhao: Nanjing University
Lili Zhao: Nanjing Tech University
Gernot Frenking: Nanjing Tech University
Xinping Wang: Nanjing University

Nature Communications, 2020, vol. 11, issue 1, 1-8

Abstract: Abstract The concept of odd-electron σ–bond was first proposed by Linus Pauling. Species containing such a bond have been recognized as important intermediates encountered in many fields. A number of radicals with a one-electron or three-electron σ-bond have been isolated, however, no example of a diradical based odd-electron σ-bonds has been reported. So far all stable diradicals are based on two s/p-localized or π-delocalized unpaired electrons (radicals). Here, we report a dication diradical that is based on two Se∴Se three-electron σ–bonds. In contrast, the dication of sulfur analogue does not display diradical character but exhibits a closed-shell singlet.

Date: 2020
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DOI: 10.1038/s41467-020-17303-4

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