An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)₂(NCS)₂] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide).

ABSTRACT: Reaction of nickel(ii) thiocyanate and tert-butyl 5-phenyl-2-pyridyl nitroxide (phpyNO) afforded a 2p-3d-2p heterospin triad [Ni(phpyNO)₂(NCS)₂]. The compound crystallizes in the orthorhombic Pbcn space group. The whole molecule is crystallographically independent. The torsion angles around Ni-O-N-C_2py are 26.8(4) and 27.3(4)° at 400 K, indicating appreciable orbital overlaps of the radical π* and nickel(ii) 3d _{x ²-y ²} /3d _{z ²} orbitals. In a low-temperature region, the torsion was enhanced, and the space group changed to monoclinic P2₁/c with a doubled asymmetric unit volume. The χ _m T value was practically null below <

SUBMITTER: Kyoden Y 

PROVIDER: S-EPMC9052934 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature