Citation: Min LIU, Huapeng RUAN, Zhongtao FENG, Xue DONG, Haiyan CUI, Xinping WANG. Neutral boron-containing radical dimers[J]. Chinese Journal of Inorganic Chemistry, ;2025, 41(1): 123-130. doi: 10.11862/CJIC.20240362 shu

Neutral boron-containing radical dimers

Min LIU ¹ ,
Huapeng RUAN ¹ ,
Zhongtao FENG ¹ ,
Xue DONG ¹ ,
Haiyan CUI ^2,, ,
Xinping WANG ^1,,

1.
School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China
2.
College of Sciences, Nanjing Agricultural University, Nanjing 210095, China

Corresponding author: Haiyan CUI, cuihaiyan-sci@njau.edu.cn Xinping WANG, xpwang@nju.edu.cn
Received Date: 10 October 2024
Revised Date: 25 November 2024

Figures(7)

A series of neutral boron-containing radical dimers were prepared directly from diketone compounds with KC₈ and BCl(C₆F₅)₂ through one pot method under an inert atmosphere. The ¹H NMR signal shows the formation of sp³-hybrid carbon atoms while the single crystal X-ray diffraction data demonstrate σ-dimerization structures. A tetra-coordinated boron center was formed on each diketon skeleton. Three compounds crystallize in triclinic space system, space group P1 with a=0.914 93(3) nm, b=1.292 24(4) nm, c=1.526 46(6) nm for 1, a=1.197 14(5) nm, b=1.352 20(6) nm, c=1.352 20(6) nm for 2, and a=1.190 50(15) nm, b=1.362 4(2) nm, c=1.848 3(3) nm for 3. The dimerization mechanism was investigated by density functional theory calculation, revealing the effects between steric hindrance, electron effects, and dimerization carbon-carbon length. Three compounds have a similar UV-Vis absorption peak at 414 nm. Dimer 2 has fluorescence luminescence property at 480 nm and the wavelength redshift slightly with increasing concentration.
- boron-containing radical,
- dimer,
- tetra-coordinated boron center
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