Structure of (N,N'-o-phenylene-disalicylideneaminato)nickel(II), [Ni(C20H14N2O2)]

Radha, A. V.; Seshasayee, M.; Ramalingam, K.; Aravamudan, G.

doi:10.1107/s0108270185007016

Cited by 24 publications

(11 citation statements)

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“…In the parent [(salophen)Cu], two independent molecules occur in the asymmetric unit; [32] one molecule is relatively flat whereas the second molecule exhibits a significant bending of the two phenol rings in the same direction so that the phenylene diimine ring is forced out of the plane in the opposite direction. [34,35] These observations indicate that there is a flat potential energy surface with regard to the bending in salophen complexes so that weak noncovalent intermolecular interactions are sufficient to induce bending. [34,35] These observations indicate that there is a flat potential energy surface with regard to the bending in salophen complexes so that weak noncovalent intermolecular interactions are sufficient to induce bending.…”

Section: Mononuclear Salophen Complexes As Referencementioning

confidence: 99%

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Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

et al. 2012

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The coordination chemistry of the triplesalophen ligands H 6 baron R (R = Me, Cl, Br) with Cu II and Ni II has been studied. The triplesalophen ligand system is an extension of the triplesalen ligand system and is composed of a bridging phloroglucinol ring with three meta-phenylene salophen coordination compartments. The completely sp 2 hybridized backbone of the triplesalophen ligands should favor a more planar molecular structure of the trinuclear complexes in comparison to the triplesalen complexes. Reaction of the ligands with the metal acetates in n-butanol/CHCl 3 provided the complexes [(baron Me )Ni 3 ]a, [(baron Cl )Ni 3 ]a, [(baron Br )-Ni 3 ]a, [(baron Me )Cu 3 ], [(baron Cl )Cu 3 ], and [(baron Br )Cu 3 ]. For the Ni II complexes, recrystallization from pyridine or performing the reaction in pyridine provided the compounds [(baron Me )Ni 3 ]b and [(baron Cl )Ni 3 ]b, whereas for the bromo derivative the complex [(baron Br ){Ni(py) 2 } 2 Ni] with one fourcoordinate and two six-coordinate Ni II ions have been obtained. In contrast, for the Cu II complexes, two [(baron R ){Cu(py)} 2 Cu] (R = Me, Cl, Br) units dimerize via [a] Lehrstuhl für Anorganische Chemie I, 5934bridging of a coordinated phenolate. The structural analysis reveals a strong tendency for π stacking of the trinuclear complexes resulting in a planarization of the complexes. The trinuclear triplesalophen complexes exhibit the four signatures of heteroradialene formation, which were extracted from single-crystal X-ray diffraction, NMR, FTIR, and UV/ Vis spectroscopy. Analysis of these experimental data with regard to the respective data of the free ligands H 6 baron R (R = Me, Cl, Br) and the mononuclear analogue H 2 carl Cl and its complexes [(carl Cl )Ni] and [(carl Cl )Cu] clearly demonstrates that the heteroradialene resonance structure, which has been established as the dominant resonance structure for the free ligands, still has a strong but smaller contribution in the trinuclear triplesalophen complexes. The magnetic properties demonstrate weak intramolecular ferromagnetic interactions mediated by the triplesalophen ligands in the trinuclear Cu II 3 complexes, which are experimentally difficult to determine due to intermolecular antiferromagnetic interactions of the same order of magnitude. molecular structures of the trinuclear Ni II 3 complexes [2] and the trinuclear Cu II 3 complexes [11] of the tert-butyl ligand H 6 talen tBu 2 exhibit a strong ligand folding along the central O-N vectors, resulting in overall bowl-shaped molecular structures. This ligand folding preorganizes the axial coordination sites of the metal salen subunits for the complementary binding of a hexacyanometallate. In combination with a strong tendency of two [(talen tBu 2 )M t 3 ] m+ complexes to dimerize due to van der Waals interaction of the tertbutyl phenyl groups, [12] a high driving force results for the formation of heptanuclear complexes [M t 6 M c ] n+ (= [{(talen tBu 2 )M t 3 } 2 {M c (CN) 6 }] n+ ) by the supramolecular assembly of two [(talen tBu ...

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Section: Mononuclear Salophen Complexes As Referencementioning

confidence: 99%

“…A comparison of [(carl Cl )Ni] with [(salophen)Ni] [34,35] and [(carl Cl )Cu] with [(salophen)Cu] [33] demonstrates that the introduction of the terminal phenyl ketimine units and substitution of the phenol groups has no significant impact on the bond lengths.…”

Section: Molecular Structures Of the Triplesalophen Complexes: Bond Lmentioning

confidence: 99%

Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

et al. 2012

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“…The intermolecular interactions are very week: the smallest distances between (17) 1.903 (17) 1.897 (7) 0.099 (6) (7) 1.085 (7) 1.078 (3) 0.074 (2) Table 4 Geometrical parameters of Cu(saloph) molecule obtained by X-ray and gas electron diffraction methods Parameters a GED b r h1 X-ray c [27] X-ray d [32] A B The geometry around copper is essentially planar in both molecules of dimeric unity. We shall note that in copper complex the Cu-N bond distance is slightly longer than Cu-O bond distance, like for the complexes of manganese, ferric, cobalt, nickel, and zinc with same base Schiff [33][34][35][36][37][38]. The overall ligand conformation is also planar with moderate twist of the chelate moieties relative to the CuO 2 N 2 plane.…”

Section: Resultsmentioning

confidence: 98%

Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations

et al. 2011

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The molecular structure of N,N 0 -o-phenylenebis(salicylideneaminato)copper(II) (Cu(saloph)) was determined using the combination of gas-phase electron diffraction (GED), mass spectrometry, and quantum-chemical calculations. According to both experimental and theoretical approaches the molecule of Cu(saloph) is planar and possesses C 2v symmetry. Main structural parameters determined by GED experiment are the following (total error is given in a brackets): r h1 (Cu-N) = 1.960(20) Å , r h1 (Cu-O) = 1.913(17) Å , \NCuN = 82.7(18)°, \OCuO = 91.6(21)°, \NCuO = 92.9(9)°. The experimental structural parameters of Cu(saloph) molecules determined by X-ray single crystal analysis and GED experiments were discussed and compared to the theoretical ones.

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“…The shortest distance between atoms belonging different molecules in a dimer is Zn-O, which equals ~2.03 Å and corresponds to the typical bridge bond. The crys tal structures of the Cu(saloph) [29] and Ni(saloph) [30] complexes consists of monomer molecules, in contrast to Zn(saloph) and Zn(salen); the geometrical structure of the MN 2 O 2 fragments has the shape of a planar square. It should be noted that in the crystal, Cu(saloph) monomer molecules are associated into dimer fragments that do not have crystallographic center of symmetry.…”

Section: Resultsmentioning

confidence: 98%

Mass spectrometric study of the vaporization of N,N′-o-phenylene-bis(salicylideniminate) nickel(II), copper(II), and zinc(II) and N,N′-ethylene-bis(salicylaldiminate) zinc(II) complexes

Tverdova

Pelevina

Krasnov

et al. 2012

Russ. J. Phys. Chem.

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The thermodynamics of vaporization of Ni(saloph), Cu(saloph), Zn(saloph), and Zn(salen) complexes are studied by Knudsen effusion method with mass spectrometric control of the vapor compo sition. It is noted that in the mass spectra of Zn(saloph) and Zn(salen), there are low intensity peaks cor responding to ions of dimer. The effect of the nature of a metal and a ligand on the behavior of fragmenta tion of the complexes during their ionization with electrons is discussed. The enthalpies of sublimation, (T), are calculated by second law of thermodynamics: Ni(saloph) (502-578 K), 163 ± 1 kJ/mol; Cu(saloph) (475-550 K), 162 ± 1 kJ/mol; Zn(saloph) (571-637 K), 176 ± 4 kJ/mol; Zn(salen) (568-634 K), 169 ± 2 kJ/mol.

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Structure of (N,N'-o-phenylene-disalicylideneaminato)nickel(II), [Ni(C20H14N2O2)]

Cited by 24 publications

References 1 publication

Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations

Mass spectrometric study of the vaporization of N,N′-o-phenylene-bis(salicylideniminate) nickel(II), copper(II), and zinc(II) and N,N′-ethylene-bis(salicylaldiminate) zinc(II) complexes

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Structure of (N,N'-o-phenylene-disalicylideneaminato)nickel(II), [Ni(C20H14N2O2)]

Cited by 24 publications

References 1 publication

Synthesis and Characterization of Trinuclear NiII3 and CuII3 Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

Synthesis and Characterization of Trinuclear NiII3 and CuII3 Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations

Mass spectrometric study of the vaporization of N,N′-o-phenylene-bis(salicylideniminate) nickel(II), copper(II), and zinc(II) and N,N′-ethylene-bis(salicylaldiminate) zinc(II) complexes

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Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties

Synthesis and Characterization of Trinuclear Ni^II₃ and Cu^II₃ Triplesalophen Complexes: Evaluation of Ligand Folding and Heteroradialene Formation and their Impact on the Magnetic Properties