{6,6′-Dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate

Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma

doi:10.1107/s1600536811004818

Cited by 5 publications

(5 citation statements)

References 6 publications

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“…Electrochemical and electronic absorption spectroscopy were taken in Table 1 and conrm similar coordination environments between the compounds. 40 The distances between the Ni(II) ion and M 2 cations are also listed in Table 1.…”

Section: Structural Studiesmentioning

confidence: 99%

Installation of internal electric fields by non-redox active cations in transition metal complexes

et al. 2019

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Section: Structural Studiesmentioning

confidence: 99%

Installation of internal electric fields by non-redox active cations in transition metal complexes

et al. 2019

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“…In ref , it was shown that in the presence of different solvents [Ni(SalEn)] can form structures similar to the A -type dimeric units with interlayer distances from 3.16 to 3.44 Å. Literature data is also available for the parallel units [Ni(SalPhen)] 2 , [Ni(CH 3 OSalEn)] 2 , and [Ni(CH 3 OSalPhen)] 2 in different solutions; the interplanar distances for these structures are equal to 3.32, 3.53, and 3.49 Å, respectively. X-ray data for [Ni(SaltmEn)] suggests that A -type structures are not observed in crystals, but a more or less parallel arrangement of molecules with an interplanar distance of 3.43 Å is possible, with the molecules being shifted by more than 7 Å relative to each other…”

Section: Results and Discussionmentioning

confidence: 99%

“…For all dimers, the most frequently encountered structure is structure A with a parallel arrangement of molecules. For The 59 and [Ni(CH 3 OSalPhen)] 2 in different solutions; 60 the interplanar distances for these structures are equal to 3.32, 3.53, and 3.49 Å, respectively. X-ray data for [Ni(SaltmEn)] suggests that A-type structures are not observed in crystals, but a more or less parallel arrangement of molecules with an interplanar distance of 3.43 Å is possible, with the molecules being shifted by more than 7 Å relative to each other.…”

Section: ■ Computational Methodsmentioning

confidence: 99%

Assembly of [Ni(Schiff)] Films on an Inert Surface: A Multiscale Computational Study

et al. 2021

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This work is devoted to a multiscale computational study of metal complexes with SalEn-type Schiff bases aggregation phenomena, which play an important role in the synthesis of polymeric conductive films on electrode surfaces and strongly affect the structure of the resulting polymers. The choice of six relatively simple [Ni(Schiff)] complexes considered in this study was based on the expected steric and electronic effects of substituents and was intended to reflect the variety of molecularlevel properties. Molecular dynamics simulations were used to study the adsorption layers formation. A link between the possible dimer structures and the properties of films adsorbed at inert surfaces was established, and the primary types of possible structures for noncovalently bound dimeric complexes were identified. Quantum chemical DFT calculations were employed to investigate bimolecular aggregates. The existence of stable bimolecular units of [Ni(Schiff)] complexes is mainly determined by dispersion interactions, while their structure is predominantly governed by electrostatic interactions. The existence of the most favorable plane-parallel structure type was confirmed for all the complexes considered in this study. Along with the formation of hydrogen bonds, d−d and π−d orbital interactions are possible for some of the complexes, though these types of bonding appear to have a relatively small effect on the orientation of molecules in dimeric units.

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“…The same aromatic ring, on its opposite face, acts as an acceptor in a much weaker C15 1v -H15 1v •••Cg1 interaction (1v: 0.5-x, 1.5-y, 0.5+z) with We note that due to the packing arrangement the Ni(II) central atoms are well separated with a shortest Ni⋅⋅⋅Ni distance of 6.2080(4) Å. 2) [15,16].…”

Section: Intermolecular Interactions In 1-3mentioning

confidence: 86%

“…Pronounced differences in crystal morphology pertain; these serve as an experimental demonstration of the influence of the solvate shape, size and location on the shape and stability of the resulting crystals. The three new solvatomorphs are further compared with previously reported solvatomorphs with chloroform and dimethylformamide [15,16], along with the room temperature structure of [Ni(o-van-en)]⋅nH2O, (n = 1) [17].…”

Section: Introductionmentioning

confidence: 99%

On new solvatomorphs of the metalloligand [Ni(o-van-en)]

Vráblová

Tomás

Titiš

et al. 2020

Inorganica Chimica Acta

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The Schiff-base bis-(2-hydroxy-3-methoxybenzylidene)ethylenediamine, denoted H2(o-vanen), is a versatile two-compartment polydentate ligand that can bring different guests, such as a transition metal and a lanthanoid, into close proximity to produce novel complexes with potentially singular properties. The base, which is prepared by the condensation of o-vanillin with ethylenediamine, reacts with nickel(II) carbonate to yield a microcrystalline product which upon recrystallization from acetone, ethanol and isopropanol, yielded three solvatomorphs of [Ni(o-van-en)]. These products, the hydrate [Ni(o-van-en)]⋅nH2O (n = 1.16, 1), the ethanolwater solvate [Ni(o-van-en)]⋅H2O⋅EtOH (2) and the isopropanol-water solvate [Ni(o-vanen)]⋅H2O⋅iPrOH (3), all contain the molecular complex [Ni(o-van-en)], as characterized by single-crystal x-ray diffraction. The [Ni(o-van-en)] fragment, which has been developed as a metalloligand for the preparation of mixed-metal (Tr-Ln) complexes with novel magnetic properties, here forms solvatomorphs whose crystals display pronounced differences in morphology and stability. The Ni(II) center in each of the three solvatomorphs is coordinated by the (o-van-en) 2ligand in a square geometry with a cis-N2O2 donor set. Each solvatomorph contains water solvate molecules; and in addition, ethanol and isopropanol solvate molecules are present in 2 and 3, respectively. Full Interaction Maps were used for comparison of the intermolecular interactions, by way of understanding the factors leading to the different solvation behavior. A review of the known structures containing o-van-en fragments is used as a contextual backdrop for a discussion of the new solvatomorph structures. Calculations based on an energy-decomposition model are used to characterize the interactions within dimeric aggregates observed in the structures of 2 and 3.

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{6,6′-Dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate

Cited by 5 publications

References 6 publications

Installation of internal electric fields by non-redox active cations in transition metal complexes

Installation of internal electric fields by non-redox active cations in transition metal complexes

Assembly of [Ni(Schiff)] Films on an Inert Surface: A Multiscale Computational Study

On new solvatomorphs of the metalloligand [Ni(o-van-en)]

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