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Diradical Anion of Potassium Aggregate: Reduction of Dimer Boroxide Complex

Journal Article


Abstract


  • Crystalline aggregates containing metal cation clusters "wrapped" by reduced hydrocarbon anions have been presented. Initially, a dimeric complex (2) possessing a bimetallic K2O2 core was synthesized from the reaction between an anthracene substituted boronic acid (2-(anthracen-9-yl)phenyl)(hydroxy)(mesityl)borane (1-H) and KN(SiMe3)2 in THF solution. The B-O bond length (1.281(4) Å) in complex 2 is comparable to those observed in oxoboranes, indicating this may be a double bond, which is supported by its Wiberg bond order (1.9) predicted by density functional theory calculations. Subsequently, potassium aggregate complexes, diradical 3 and dihydro anion 4, were obtained through the reduction reactions of dimeric complex 2 and 1-H, respectively. They exhibit similar K3O2B2 aggregate structures, but differ significantly in the geometry of the anthracene units. Complex 3 features a triplet diradical character with planar anthracene units that carry the unpaired electrons, while the anthracene groups in complex 4 display a puckered structure due to the addition of hydrogen atoms.

Authors


  •   Zheng, Yang (external author)
  •   Wang, Xi (external author)
  •   Bai, Yunfei (external author)
  •   Wang, Xingyong
  •   Ru, Chenglong (external author)
  •   Chen, Wenhao (external author)
  •   Lv, Xiaoxia (external author)
  •   Pan, Xiaobo (external author)
  •   Wu, Jincai (external author)

Publication Date


  • 2018

Citation


  • Zheng, Y., Wang, X., Bai, Y., Wang, X., Ru, C., Chen, W., Lv, X., Pan, X. & Wu, J. (2018). Diradical Anion of Potassium Aggregate: Reduction of Dimer Boroxide Complex. Inorganic Chemistry, 57 (21), 13544-13551.

Scopus Eid


  • 2-s2.0-85055148303

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers1/481

Number Of Pages


  • 7

Start Page


  • 13544

End Page


  • 13551

Volume


  • 57

Issue


  • 21

Place Of Publication


  • United States

Abstract


  • Crystalline aggregates containing metal cation clusters "wrapped" by reduced hydrocarbon anions have been presented. Initially, a dimeric complex (2) possessing a bimetallic K2O2 core was synthesized from the reaction between an anthracene substituted boronic acid (2-(anthracen-9-yl)phenyl)(hydroxy)(mesityl)borane (1-H) and KN(SiMe3)2 in THF solution. The B-O bond length (1.281(4) Å) in complex 2 is comparable to those observed in oxoboranes, indicating this may be a double bond, which is supported by its Wiberg bond order (1.9) predicted by density functional theory calculations. Subsequently, potassium aggregate complexes, diradical 3 and dihydro anion 4, were obtained through the reduction reactions of dimeric complex 2 and 1-H, respectively. They exhibit similar K3O2B2 aggregate structures, but differ significantly in the geometry of the anthracene units. Complex 3 features a triplet diradical character with planar anthracene units that carry the unpaired electrons, while the anthracene groups in complex 4 display a puckered structure due to the addition of hydrogen atoms.

Authors


  •   Zheng, Yang (external author)
  •   Wang, Xi (external author)
  •   Bai, Yunfei (external author)
  •   Wang, Xingyong
  •   Ru, Chenglong (external author)
  •   Chen, Wenhao (external author)
  •   Lv, Xiaoxia (external author)
  •   Pan, Xiaobo (external author)
  •   Wu, Jincai (external author)

Publication Date


  • 2018

Citation


  • Zheng, Y., Wang, X., Bai, Y., Wang, X., Ru, C., Chen, W., Lv, X., Pan, X. & Wu, J. (2018). Diradical Anion of Potassium Aggregate: Reduction of Dimer Boroxide Complex. Inorganic Chemistry, 57 (21), 13544-13551.

Scopus Eid


  • 2-s2.0-85055148303

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers1/481

Number Of Pages


  • 7

Start Page


  • 13544

End Page


  • 13551

Volume


  • 57

Issue


  • 21

Place Of Publication


  • United States