Copper(I) tetraacetonitrile perchlorate

Csöregh, Ingeborg; Kierkegaard, Peder; Norrestam, R.

doi:10.1107/s0567740875002634

Cited by 99 publications

(65 citation statements)

References 5 publications

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“…For CuAn 2þ 6 , the optimised Cu-N distances (4 Â 200, 238, and 239 pm) are 1 pm longer (equatorial) or 1-2 pm shorter (axial) than those obtained by EXAFS methods [23]. For CuAn þ 4 , our optimised Cu-N bonds (197 pm) are 2 pm shorter than distances observed in the crystal structure of CuAn 4 ClO 4 [59]. Thus, our theoretical distances should be accurate to within 0-4 pm.…”

Section: Methodsmentioning

confidence: 74%

The structure of sitting-atop complexes of metalloporphyrins studied by theoretical methods

Shen

Ryde

2004

Journal of Inorganic Biochemistry

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Section: Methodsmentioning

confidence: 74%

The structure of sitting-atop complexes of metalloporphyrins studied by theoretical methods

Shen

Ryde

2004

Journal of Inorganic Biochemistry

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“…Complex 3a has a tetrahedral arrangement of the four ferrocenecarbonitrile ligands at Cu1 in the solid state as expected for a copper(I) complex. Complex 4 as well as tetrakis(acetonitrile) copper(I) perchlorate show three independent formula units in the crystal structure 38,39. However, 3a contains only the half of one [Cu(NCFc) 4 ] cation and one disordered BF 4 – anion in the asymmetric unit.…”

Section: Resultsmentioning

confidence: 99%

Tetrakis(ferrocenecarbonitrile) Copper(I) Complexes

Strehler

Hildebrandt

Korb

et al. 2013

Zeitschrift anorg allge chemie

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The homoleptic tetrakis(ferrocenecarbonitrile) copper(I) complexes [Cu(N≡CFc)4]A [A = BF4 (3a), A = SO3CF3 (3b)] were succefully prepared by treatment of copper with the copper(II) salt [CuA2]·xH2O [A = BF4, x = 5 (1a); A = SO3CF3, x = 0 (1b)] in presence of cyanoferrocene (2). For 3a the tetrahedral arrangement of the four ferrocenecarbonitrile ligands at the copper atom was proven by single X‐ray diffraction studies. The FcC≡N units are weakly bonded to copper, which is reflected by a complete ligand exchange upon addition of MeC≡N forming [Cu(N≡CMe)4]BF4 (4). Electrochemical measurements of 3a revealed that all four ferrocenyl units are oxidized in a close potential range and the individual processes are not resolved in the cylic voltammogram. Due to the decrease of electron density at the ferrocenyl termini, the redox event is merely shifted to 456 mV (for comparison, free 2 has E°′ = 436 mV). For 3a intervalence charge transfer (IVCT) absorption between FeII/FeIII and/or CuI/FeIII could not be observed in the in situ UV/Vis/NIR spectra in any oxidation state. This alluded that no electronic interaction between the Fc/Fc+ termini over the –C≡N–CuI–N≡C– connectivities takes place. Nevertheless, upon oxidation a ligand‐to‐metal charge transfer (LMCT) band of the ferrocenium groups at 643 nm is visuable accompanied with a shift in the d‐d transition absorptions of the central iron atoms.

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“…13,14 The Cu(I)-N bond distances are depicted in Table 3. In the known tetrahedral complex [CuI(MeCN) 4 ]-ClO 4 , Cu-N distances of 1.99 Å were experimentally observed 15 and should be compared with the Cu-N distances in the first column of Table 3. The close agreement observed here supports the suitability of the PM6 method to determine the molecular geometries of these complexes.…”

Section: Computational Studymentioning

confidence: 89%