π–π Stacking, hydrogen bonding and anti-ferromagnetic coupling mechanism on a mononuclear Cu(II) complex

Li, Hong; Zhang, Shi‐Guo; Xie, Long-Miao; Yu, Li; Shi, Jing-Min

doi:10.1080/00958972.2011.572968

Cited by 16 publications

(2 citation statements)

References 42 publications

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“…The observed H-bonding and π-π stacking in the molecule played a vital role in governing the architecture of the structure by generating hydrogen-bonded dimers. As expected, the H-bonding and π-π stacking plays a crucial role in structure modification [13,14,[59][60][61][62][63]. The presence of methanol in the structure does not show any disorder in the crystal structure, probably due to its coordination in the crystal lattice only.…”

Section: Crystal Structure Descriptionsupporting

confidence: 72%

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

et al. 2022

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A mononuclear Co(II) complex of a Schiff base ligand derived from 5-Bromo-vanillin and 4-aminoantipyrine, that has a compressed tetragonal bipyramidal geometry and exhibiting field-induced slow magnetic relaxation, has been synthesized and characterized by single crystal X-ray diffraction, elemental analysis and molecular spectroscopy. In the crystal packing, a hydrogen-bonded dimer structural topology has been observed with two distinct metal centers having slightly different bond parameters. The complex has been further investigated for its magnetic nature on a SQUID magnetometer. The DC magnetic data confirm that the complex behaves as a typical S = 3/2 spin system with a sizable axial zero-field splitting parameter D/hc = 38 cm−1. The AC susceptibility data reveal that the relaxation time for the single-mode relaxation process is τ = 0.16(1) ms at T = 2.0 K and BDC = 0.12 T.

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Section: Crystal Structure Descriptionsupporting

confidence: 72%

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

et al. 2022

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“…Thus, if we include the presence of a weak intermolecular coupling with the mean field approximation ( zJ ), we can replicate even better the magnetic properties of compound 1 with g = 1.959, zJ = −0.03 cm –1 , and | D | = 1.23 cm –1 with a residual of 0.0158 (solid line in Figure ). As expected, the interaction between the Mn(III) centers is weak and antiferromagnetic, since usually π ··· π interactions give rise to weak couplings. − On the other side, the D value found for the isolated Mn(III) center is quite low and is in the typical range observed (−3.8 cm –1 to +3.1 cm –1 ) for mononuclear Mn(III) ions …”

Section: Resultsmentioning

confidence: 54%

Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn₂Fe Trimer

Goswami

Singha

Saha³

et al. 2020

Inorg. Chem.

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Metal−ligand coordination interactions are usually much stronger than weak intermolecular interactions. Nevertheless, here, we show experimental evidence and theoretical confirmation of a very rare example where metal−ligand bonds dissociate in an irreversible way, helped by a large number of weak intermolecular interactions that surpass the energy of the metal−ligand bond. Thus, we describe the design and synthesis of trinuclear Mn 2 Fe complex {[Mn(L)-(H 2 O)] 2 Fe(CN) 6 }, 2− starting from a mononuclear Mn(III)-Schiff base complex: [Mn(L)(H 2 O)Cl] (1) and [Fe(CN) 6 ] 4− anions. This reaction implies the dissociation of Mn(III)-Cl coordination bonds and the formation of Mn(III)-NC bonds with the help of several intermolecular interactions. Here, we present the synthesis, crystal structure, and magnetic characterization of the monomeric Mn))bis(methaneylylidene))bis(4-methoxyphenol)). Complex 1 is a monomer where the Schiff base ligand (L) is coordinated to the four equatorial positions of the Mn(III) center with a H 2 O molecule and a Cl − ion at the axial sites and the monomeric units are assembled by π−π and hydrogen-bonding interactions to build supramolecular dimers. The combination of [Fe(CN) 6 ] 4− with complex 1 leads to the formation of linear Mn-NC-Fe-CN-Mn trimers where two trans cyano groups of the [Fe(CN) 6 ] 4− anion replace the labile chloride from the coordination sphere of two [Mn(L)(H 2 O)Cl] complexes, giving rise to the linear anionic {[Mn(L)(H 2 O)] 2 Fe(CN) 6 } 2− trimer. This Mn 2 Fe trimer crystallizes with an oxonium cation and a mononuclear [Mn(L)(H 2 O) 2 ] + cation, closely related to the precursor neutral complex [Mn(L)(H 2 O)Cl]. In compound 2, the Mn 2 Fe trimers are assembled by several hydrogen-bonding and π−π interactions to frame an extended structure similar to that of complex 1. Density functional theoretical (DFT) calculations at the PBE1PBE-D3/def2-TZVP level show that the bond dissociation energy (−29.3 kcal/mol) for the Mn(III)-Cl bond is smaller than the summation of all the weak intermolecular interactions (−30.1 kcal/mol). Variable-temperature magnetic studies imply the existence of weak intermolecular antiferromagnetic couplings in both compounds, which can be can cancelled with a critical field of ca. 2.0 and 2.5 T at 2 K for compounds 1 and 2, respectively. The magnetic properties of compound 1 have been fit with a simple S = 2 monomer with g = 1.959, a weak zero-field splitting (|D| = 1.23 cm −1 ), and a very weak intermolecular interaction (zJ = −0.03 cm −1 ). For compound 2, we have used a model with an S = 2 monomer with ZFS plus an S = 2 antiferromagnetically coupled dimer with g = 2.009, |D| = 1.21 cm −1 , and J = −0.42 cm −1 . The metamagnetic behavior of both compounds is attributed to the weak intermolecular π−π and hydrogen-bonding interactions.

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Biologically relevant Cu2+ complexes with a tridentate phenanthroline analogue: Structural properties and DNA damage

Morellato

Musetti

Palumbo

et al. 2015

Inorganica Chimica Acta

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π–π Stacking, hydrogen bonding and anti-ferromagnetic coupling mechanism on a mononuclear Cu(II) complex

Cited by 16 publications

References 42 publications

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn₂Fe Trimer

Biologically relevant Cu2+ complexes with a tridentate phenanthroline analogue: Structural properties and DNA damage

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π–π Stacking, hydrogen bonding and anti-ferromagnetic coupling mechanism on a mononuclear Cu(II) complex

Cited by 16 publications

References 42 publications

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

Field-Induced Single Molecule Magnetic Behavior of Mononuclear Cobalt(II) Schiff Base Complex Derived from 5-Bromo Vanillin

Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer

Biologically relevant Cu2+ complexes with a tridentate phenanthroline analogue: Structural properties and DNA damage

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Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn₂Fe Trimer