An intriguing NO2⋯π and CN⋯π interactions in [1-(4′-nitrobenzyl)pyrazinium][Ni(mnt)2]: Crystal structure, magnetic property and DFT calculation

Zheng Fang Tian, Hai Bao Duan, Hong Zhou, Xiao Ming Ren, Hui Zhang, Qing Jin Meng

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

A charge-transfer compound, [NO2BzPz][Ni(mnt)2] (NO2BzPz+ = 1-(4′-nitrobenzyl)pyrazinium and mnt2- = maleonitriledithiolate), has been structurally characterized, which shows rare noncovalently intermolecular interactions between lone-pair electron and electron-deficient pyrazine rings (NO2⋯π and CN⋯π), theoretical analysis reveals that such intermolecular interactions can be attributed to Coulomb interaction. The paramagnetic [Ni(mnt)2]- anions in [NO2BzPz][Ni(mnt)2] form a dimerized stack and strong antiferromagnetic coupling interaction is observed in such a spin dimer which lead to weak paramagnetic feature in this compound.

Original languageEnglish
Pages (from-to)148-150
Number of pages3
JournalInorganic Chemistry Communications
Volume12
Issue number2
DOIs
StatePublished - Feb 2009

Keywords

  • Bis(maleonitriledithiolato)nickelate monoanion
  • Crystal structure
  • DFT calculation
  • Lone-pair⋯π interaction
  • Magnetic property

Fingerprint

Dive into the research topics of 'An intriguing NO2⋯π and CN⋯π interactions in [1-(4′-nitrobenzyl)pyrazinium][Ni(mnt)2]: Crystal structure, magnetic property and DFT calculation'. Together they form a unique fingerprint.

Cite this