Jump to main content
Jump to site search

Issue 30, 2008
Previous Article Next Article

Targeted self-assembly and quantum Monte Carlo magnetic study of an alternating nickel(ii) 1D coordination polymer composed of highly preorganized binuclear tectons

Author affiliations

Abstract

A pyrazolate-based binucleating ligand HL with pyridyl groups in the chelate arms has been used to synthesize the dinickel(II) complex [LNi2(N3)(MeOH)2](ClO4)2 (1) and the corresponding 1D polymeric [LNi2(μ-N3)2]n(NO3)n (2) depending on the amount of NaN3 added. X-Ray crystallography shows that structural parameters of the {LNi2(N3)} units are very similar in both compounds. This is ascribed to π–π stacking between the pyridyl rings that leads to rigidification of the framework and a fixed cis-orientation of the remaining coordination sites, which are filled by MeOH molecules in 1 or by a μ1,3-bridging azide that connects the subunits in 2. Variable-temperature magnetic measurements reveal strong antiferromagnetic coupling with parameters g = 2.21 and J = −60.7 cm−1 for compound 1. Magnetic data for the extended chain 2 have been analyzed by Quantum Monte Carlo (QMC) simulations to give g = 2.34, J1 = −55 cm−1, and J2 = −12 cm−1. The known J value for 1 finally allows unambiguous assignment of J1 to the intrasubunit coupling within each bimetallic chain constituent. The alternation ratio γ = J2/J1 signifies a singlet-dimer ground state of the new 1D polymer 2.

Graphical abstract: Targeted self-assembly and quantum Monte Carlo magnetic study of an alternating nickel(ii) 1D coordination polymer composed of highly preorganized binuclear tectons

Back to tab navigation

Supplementary files

Article information


Submitted
19 Mar 2008
Accepted
02 May 2008
First published
19 Jun 2008

Dalton Trans., 2008, 3971-3977
Article type
Paper

Targeted self-assembly and quantum Monte Carlo magnetic study of an alternating nickel(II) 1D coordination polymer composed of highly preorganized binuclear tectons

F. Nie, S. Demeshko, S. Fuchs, S. Dechert, T. Pruschke and F. Meyer, Dalton Trans., 2008, 3971
DOI: 10.1039/B804292F

Social activity

Search articles by author

Spotlight

Advertisements