Syntheses of [Ni2(dien)2(NCS)4(H2O)] and [Ni(aepn)(NCS)2]n ((dien = bis(2-aminoethyl)amine and aepn = N-(2-aminoethyl)-1,3-propanediamine): single crystal structure analysis and thermal behaviour in the solid state

Mondal, Arunendu; Pariya, Chandi; Chaudhuri, Nirmalendu Ray; Nayak, N. P.; Mukherjee, Alok K.; Ghosh, Ashutosh

doi:10.1016/0277-5387(96)00254-9

Cited by 16 publications

(3 citation statements)

References 13 publications

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“…A study of the CSD database revealed that there are 12 examples for coordination of the AEPD to the nickel atom. [54][55][56][57][58][59][60][61][62] In all of them the AEPD has one coordination mode, mer-Two Chelates (Table 4). Among these analogues, seven of them have the [Ni(AEPD) 2 ] 2+ unit in their structure, 54,56,57,59 confirming that this unit is commonly formed in the reaction between AEPD with a nickel(II) ion.…”

Section: Proposed Structure Of [Ni(aepd) 2 ](No 3 ) 2 (1)mentioning

confidence: 99%

A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Mardani

Dorjani

Moeini

et al. 2019

Journal of Chemical Research

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Two complexes of N1-(2-aminoethyl)propane-1,3-diamine (AEPD), [Ni(AEPD)2](NO3)2 (1) and [Cu2( μ-Cl)2(AEPD)2](NO3)2·2H2O (2), are prepared and identified by elemental analysis, Fourier transform infrared spectroscopy and UV–Vis spectroscopy, and single-crystal X-ray diffraction (for 2). Spectral and structural data reveal that the AEPD ligand transfers from nickel to copper in the reaction between 1 and copper chloride. All coordination modes of the AEPD-based ligands are studied by analysis of the Cambridge Structural Database. The nickel atom in 1 has octahedral geometry (NiN6) while X-ray structure analysis revealed that the copper atom in the binuclear structure of 2 has an elongated square-pyramidal geometry with a CuN3OCl2 environment. In the crystal network of 2, water molecules and cationic complex units along with the nitrate ions form different hydrogen bond motifs. The thermodynamic stability of the compounds and their charge distribution patterns is studied by density functional theory and natural bond orbital analysis. The ability of AEPD and its complexes to interact with 10 selected biomacromolecules is investigated by docking calculations.

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Section: Proposed Structure Of [Ni(aepd) 2 ](No 3 ) 2 (1)mentioning

confidence: 99%

A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Mardani

Dorjani

Moeini

et al. 2019

Journal of Chemical Research

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“…With the aid of these contacts polymer affords 3D structure fig.(6). Carbonyl oxygen of amide group taking part in bonding gives three interlayer C(7)-O(1)---C(7), C(7)-O(1)---H(2)WB, C(7)-O(1)---H(6)C (6).These bonds also helps in making 3d structure.…”

Section: Crystal Structurementioning

confidence: 99%

“…The thiocyanate ligand, with the ambidentate ability, seems to play an important role in the design of extended one, two, and three-dimensional compounds with specific magnetic properties. According to the concept of hard-soft acid-base [6,7,8], the SCN_ ion prefers to bind to Cd(II) center in both N-and S-bonded fashion, whereas in the only N-terminal mode to Co(II) ion. Many thiocyanate complexes have been reported in combination with different ligand via-{[Cu(4,4_-bpy)_(BF4)2(H2O)2]_(4,4_-bpy)}n [9], {[Mn(4,4_bpy)(NCS)2(H2O)2]_(4,4_-bpy)}n [10], and {[Cu(4,4_-bpy)(pyz)(H2O)2]_(PF6)}nH2O [11].…”

Section: Introductionmentioning

confidence: 99%

Supramolecular Hydrogen Bonded 3D Molecular Self Assembly Constructed from [(Co (nicotinamide)2(thiocyanate)2(H2O)2] Complex Showing Anti-ferromagnetic Character

Pandey

Narvi

Chaudhuri

2014

JAC

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A new three dimensional hydrogen bonded cobalt frame work from [Co(nicotinamide)2(thiocyanate)2(H2O)2] was synthesized and characterized by X-ray diffraction, magnetism ,TGA and IR spectroscopy. The compound crystallizes in Triclinic space group P-1 with a = 7.5475(19), b = 8.054(2), c =8.932(2). Alpha=73.347(4), beta=70.067(4), gamma=66.559(4) with space group P-1Z = 1, 'C14 H16 N6 Co O4 S2', Mr =455.38, F(000) = 233 and μ(MoKα) =0.71073 mm -1 . The final R = 0.0497 and wR = 0.1461 for 4185 observed reflections with I > 2σ(I) and R = 0.0721 and wR = 0.1619 for all data. X-ray diffraction analyses revealed that Co(1) is linked by the nicotinamide ligands to form the ladder shape along the c axis, which is further extended into two-dimensional networks via the joint of Co(2) along the a axis. Moreover, these two dimensional motifs are interconnected by the thiocyanate S...H bridges to form a complicated 3-D polymeric framework. The magnetic susceptibility data at 1000Oe external field in the temperature range 2-300 K obeys the Curie-Weiss law, giving θ = -24.12 K and C =2.43 thus indicating a dominant strong antiferromagnetic interaction and/or spin orbital coupling between the Co (II) ions.

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Synthesis, Crystal Structure and Magneto‐Structural Correlation of an Unusual Thiocyanato‐Bridged Nickel(II) Compound, [Ni(μ‐NCS)(dpt)(NCS)]₂[Ni(μ‐NCS)(dpt)(NCS)]₄ [dpt = bis(3‐aminopropyl)amine]

et al. 2003

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Syntheses of [Ni2(dien)2(NCS)4(H2O)] and [Ni(aepn)(NCS)2]n ((dien = bis(2-aminoethyl)amine and aepn = N-(2-aminoethyl)-1,3-propanediamine): single crystal structure analysis and thermal behaviour in the solid state

Cited by 16 publications

References 13 publications

A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Supramolecular Hydrogen Bonded 3D Molecular Self Assembly Constructed from [(Co (nicotinamide)2(thiocyanate)2(H2O)2] Complex Showing Anti-ferromagnetic Character

Synthesis, Crystal Structure and Magneto‐Structural Correlation of an Unusual Thiocyanato‐Bridged Nickel(II) Compound, [Ni(μ‐NCS)(dpt)(NCS)]₂[Ni(μ‐NCS)(dpt)(NCS)]₄ [dpt = bis(3‐aminopropyl)amine]

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Syntheses of [Ni2(dien)2(NCS)4(H2O)] and [Ni(aepn)(NCS)2]n ((dien = bis(2-aminoethyl)amine and aepn = N-(2-aminoethyl)-1,3-propanediamine): single crystal structure analysis and thermal behaviour in the solid state

Cited by 16 publications

References 13 publications

A novel ligand transfer reaction: Transferring an N3-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

A novel ligand transfer reaction: Transferring an N3-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Supramolecular Hydrogen Bonded 3D Molecular Self Assembly Constructed from [(Co (nicotinamide)2(thiocyanate)2(H2O)2] Complex Showing Anti-ferromagnetic Character

Synthesis, Crystal Structure and Magneto‐Structural Correlation of an Unusual Thiocyanato‐Bridged Nickel(II) Compound, [Ni(μ‐NCS)(dpt)(NCS)]2[Ni(μ‐NCS)(dpt)(NCS)]4 [dpt = bis(3‐aminopropyl)amine]

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A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

A novel ligand transfer reaction: Transferring an N₃-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Synthesis, Crystal Structure and Magneto‐Structural Correlation of an Unusual Thiocyanato‐Bridged Nickel(II) Compound, [Ni(μ‐NCS)(dpt)(NCS)]₂[Ni(μ‐NCS)(dpt)(NCS)]₄ [dpt = bis(3‐aminopropyl)amine]