Bis[bis(ethylenediamine-N,N')(μN,S-thiocyanato)nickel(II)] Bis(hexafluorophosphate)

James, Margaret A.; Kawaguchi, Hiroyuki; Tatsumi, Kazuyoshi; Hambley, T. W.

doi:10.1107/s0108270198008841

Cited by 3 publications

(1 citation statement)

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“…The dimeric [{Ni(en) 2 } 2 (m-NCS-S,N) 2 ][PF 6 ] 2 contains doubly bridged cations with cis thiocyanates. 66 Dinuclear 67 Linear trimetal complexes of dipyridylamide continue to fascinate. 68 Studies of two forms of [Co 3 Cl 2 (dpa) 4 ] and three forms of [Ni 3 Cl 2 (dpa) 4 ] con¢rm that all contain a linear symmetrical Cl^M^M^M^Cl core which is maintained in solution.…”

Section: Nitrogen Donorsmentioning

confidence: 99%

14 Iron, cobalt and nickel

Cotton¹

2000

Annu. Rep. Prog. Chem., Sect. A

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Section: Nitrogen Donorsmentioning

confidence: 99%

14 Iron, cobalt and nickel

Cotton¹

2000

Annu. Rep. Prog. Chem., Sect. A

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Synthesis and characterization of five new thiocyanato- and cyanato-metal(II) complexes with 4-azidopyridine as co-ligand

et al. 2015

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Is the Enthalpy of Fusion of Tris(acetylacetonato)metal(III) Complexes Affected by Their Potential Energy in the Crystal State?

et al. 2004

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In this Article we present enthalpies of fusion and melting points obtained from new thermochemical measurements of tris(acetylacetonato)metal(III), M(acac)(3), complexes (M = Fe, Al, Cr, Mn, Co) using differential scanning calorimetry (DSC) and evaluate them in relation to their different values found in the literature. An enthalpy of fusion of 27.67 kJ mol(-)(1) was derived for Mn(acac)(3) from a symmetrical DSC thermogram captured for the first time. The enthalpy value was indirectly confirmed with the solubility measurements of Mn(acac)(3) in acetylacetone. A hypothesis has been stated that the enthalpy of fusion and the potential energy of M(acac)(3) in the crystal state may be related. To calculate molecular in-crystal potential energy, in this Article we proposed a molecular mechanics model for the M(acac)(3) class of compounds. Nine X-ray crystal structures of M(acac)(3) complexes (M = Fe, Al, V, Mn, Co, Cr, Sc) were included in the modeling. The conformational potential energy was minimized for a molecule surrounded by other molecules in the crystal lattice. The partial charges from two schemes, the electrostatic potential (ESP) fit and the natural population analysis (NPA), were used to construct two types of force fields to examine which force field type would yield a better fit with the experimental thermal properties. The final force fields were named FF-ESP and FF-NPA. Both force field sets reproduced well the experimental crystal data of nine M(acac)(3) complexes as well as of tris(3-methyl-2,4-pentanedionato-O,O')cobalt(III). Only in-crystal potential energies derived by FF-NPA yielded a significant correlation (correlation coefficient R = -0.71) with the measured enthalpies of fusion. The enthalpy of fusion for Co(acac)(3) could not be determined experimentally because of simultaneous decomposition and fusion, and it is predicted to be 33.2 kJ mol(-)(1) from the correlation regression line.

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Bis[bis(ethylenediamine-N,N')(μ_N,S-thiocyanato)nickel(II)] Bis(hexafluorophosphate)

Cited by 3 publications

References 1 publication

14 Iron, cobalt and nickel

14 Iron, cobalt and nickel

Synthesis and characterization of five new thiocyanato- and cyanato-metal(II) complexes with 4-azidopyridine as co-ligand

Is the Enthalpy of Fusion of Tris(acetylacetonato)metal(III) Complexes Affected by Their Potential Energy in the Crystal State?

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