141
Views
1
CrossRef citations to date
0
Altmetric
Articles

Synthesis, structure, spectra, magnetism, non-linear optical properties and DFT calculations of a bis(dithiolene)nickel(III) anion salt with substituted isoquinolinium

, , , , , , & show all
Pages 159-167 | Received 31 Jan 2020, Accepted 22 Apr 2020, Published online: 01 Jun 2020
 

Abstract

Self-assemble of the bis(maleonitriledithiolate)nickel(III) anion ([Ni(mnt)2]) and 4-cyanobenzyl isoquinolinium cation ([4CNBzIQl]+) results into a new molecular solid, [4CNBzIQl][Ni(mnt)2](1). Single crystal X-ray diffraction revealed that contains segregated columns of anions and cations and the Ni(III) ions form a 1 D zigzag alternating chain through Ni···S and π···π interactions between anions. Powder XRD diffraction study confirms the crystalline nature of the title material. The UV-Vis spectral analysis was used to determine the band gap energy, and the nonlinear optical (NLO) effect of the compound was predicted using DFT. Upon the temperature is lowered, the non-uniform chain has been compressed with the change of Ni···Ni distance, and a spin gap transition around 128 K.

Log in via your institution

Log in to Taylor & Francis Online

PDF download + Online access

  • 48 hours access to article PDF & online version
  • Article PDF can be downloaded
  • Article PDF can be printed
USD 61.00 Add to cart

Issue Purchase

  • 30 days online access to complete issue
  • Article PDFs can be downloaded
  • Article PDFs can be printed
USD 674.00 Add to cart

* Local tax will be added as applicable

Related Research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.