Structure and Magnetic Properties of the Spin Crossover Linear Trinuclear Complex [Fe3(furtrz)6(ptol)2(MeOH)4]·4(ptol)·4(MeOH) (furtrz: furanylidene-4H-1,2,4-triazol-4-amine ptol: p-tolylsulfonate)

Klein, Y. Maximilian; Sciortino, Natasha F.; Housecroft, Catherine E.; Kepert, Cameron J.; Neville, Suzanne M.

doi:10.3390/magnetochemistry2010007

Cited by 19 publications

(15 citation statements)

References 25 publications

(28 reference statements)

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“…A further study can be followed by synthesis of similar compounds with different degree of aromatic substitutions, either from the triazole ligands or from the counter anions. Furthermore, the relatively low transition temperature (120 K) for this compound is consistent with other similar discrete molecular species containing bulky aromatic 1,2,4-triazole ligands [19,[24][25][26].…”

Section: Magnetic Susceptibility and Mössbauer Spectroscopysupporting

confidence: 83%

“…The multiple intra-and inter-molecular H-bonding interactions found in the crystal lattice explain the strong cooperativity between the active Fe(II) centers. Interestingly, even though studies have shown that ligands with bulky aromatic substituents and aromatic anions might have a "dilute or separation effect" on the overall cooperativity of the SCO compounds [19,26]. The abrupt transition observed here stands for an example with the supramolecular interactions overcome the "aromatic dilute effect".…”

Section: Magnetic Susceptibility and Mössbauer Spectroscopymentioning

confidence: 69%

“…Numerous intra-and inter-molecular interactions involving the sulfonate oxygen atoms of the free p-tolylsulfonate anions lead to the final crystal packing. These supramolecular interactions explains the unusual sharp transition found in the rather bulky π-rich (conjugated) ligand system [19,26]. A comprehensive list of all the interactions is given in Table S5.…”

Section: X-ray Crystal Structure Descriptionmentioning

confidence: 83%

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Abrupt Spin Crossover Behavior in a Linear N1,N2-Triazole Bridged Trinuclear Fe(II) Complex

Hochdörffer

Wolny

et al. 2018

Magnetochemistry

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Abstract:The synthesis, structures and magnetic properties of a new trinuclear spin crossover complex [Fe II 3 (pyrtrz) 6 (TsO) 6 ]·10H 2 O·2CH 3 OH (C2) and its analogue binuclear [Fe II 2 (pyrtrz) 5 (SCN) 4 ]·7H 2 O (C1), are reported here. These two compounds are synthesized based on the pyrrolyl functionalized Schiff base 1,2,4-triazole ligand 4-((1H-pyrrol-2-yl)methylene-amino)-4H-1,2,4-triazole (pyrtrz), which represent rare discrete multi-nuclear species, with µ 2 -N1,N2-triazole bridges linking the Fe II centers. DC magnetic susceptibility measurements revealed an abrupt single-step spin crossover (SCO) behavior for compound 2 on the central Fe II site and single-crystal X-ray diffraction (173 K) showed that this compound crystallizes in the monoclinic space group (P21/c), and multiple intramolecular interactions were found responsible for the abrupt transition. Compound 1 is a binuclear complex with thiocyanate as terminal ligands. This compound stays in high spin state over the whole temperature range and displays weak antiferromagnetic exchange coupling.

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Section: Magnetic Susceptibility and Mössbauer Spectroscopysupporting

confidence: 83%

Section: Magnetic Susceptibility and Mössbauer Spectroscopymentioning

confidence: 69%

Section: X-ray Crystal Structure Descriptionmentioning

confidence: 83%

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Abrupt Spin Crossover Behavior in a Linear N1,N2-Triazole Bridged Trinuclear Fe(II) Complex

Hochdörffer

Wolny

et al. 2018

Magnetochemistry

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“…The phenomenon of SCO was discovered almost one hundred years ago [3,4] and refers to the change of the ground spin state of transition metal ions with the electronic configuration d 4 − d 7 from the low-spin (ls) state to the high spin (hs) one under action of temperature, light or external pressure (see review papers [1,[5][6][7]). Last years, many works were devoted to binuclear [8][9][10][11], trinuclear [12][13][14] and tetranuclear [15][16][17][18][19] iron(II) SCO systems. SCO can take place if the molecular unit of a crystal cell has at least one ion with the electronic configuration d 4 − d 7 and closely spaced low-spin (ls) and high-spin (hs) levels of this ion.…”

Section: Introductionmentioning

confidence: 99%

Cooperative Spin Transitions Triggered by Phonons in Metal Complexes Coupled to Molecular Vibrations

et al. 2022

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The present article is a short overview of the theoretical modeling of spin transitions in polymetallic compounds. As distinguished from many insightful reviews on this topic, the present work is focused on the nature of cooperative interaction of the metal clusters in molecular crystals with emphasis at the physical role of molecular vibrations and phonons. The underlying model assumes that the cooperativity is triggered by phonons while the metal centers are coupled to molecular vibrations. It is demonstrated that the suggested model gives a satisfactory description of the observed spin transitions in mono-, bi- and tetranuclear compounds. In the framework of the described approach, we discuss the experimental data on spin crossover in the mononuclear [Fe(ptz)6](BF4)2, binuclear [{Fe(bt)(NCS)2}2bpym] and tetranuclear [Fe(tpa){N(CN)2}]4·(BF4)4·(H2O)2 compounds containing iron ions. The approach is also applied to the description of the charge-transfer-induced spin transition in the [{(Tp)Fe(CN)3}{Co-(PY5Me2)}](CF3SO3) complex.

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“…A novel Fe(II) mononuclear species made with a pyridylmethyleneaniline ligand featuring an isopropyl group exhibits hysteresis resulting from the coupling of the SCO transition with a process of conformational isomerism of the latter substituent [11]. In addition to mononuclear systems, this issue channels the presentation of a novel trinuclear spin transition complex [12]. …”

mentioning

confidence: 99%

Special Issue “Spin Crossover (SCO) Research”

Aromı́

Real

2016

Magnetochemistry

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This special issue, entitled "Spin Crossover (SCO) Research", illustrates the current relevance of a focused topic, which is in turn highly versatile. Indeed, the collection of papers presented constitutes a sampler that shows the topical importance of this area by attracting the interest of many top researchers and how it is approached under a multidisciplinary perspective. The guest editors are thankful to the publisher and their professional editorial team, who have helped enormously in the task of putting together this issue. The serious, altruistic, and dedicated work of all the referees is also gratefully acknowledged. Finally, the generosity and the strong scientific input of the authors that have contributed their papers with some of their best research results deserve the strongest recognition. The collection of manuscripts in this issue encompasses two high-quality review articles and eighteen outstanding research papers. Following the announced spirit of the original call, very diverse aspects of the phenomenon of spin transition are treated. Therefore, a good balance between theory, synthesis, and physical studies is encountered, while various manifestations of SCO materials are present as part of the theoretical treatments as well as experimentally (molecular, polymeric, nano-structured, and composite materials). The issue includes Monte Carlo simulations of the dynamic properties of the SCO phenomenon analyzing the influence of crystal defects [1], the surface effects [2], and the interactions within the bulk of the system using an Ising model [3]. In addition, density functional theory (DFT) calculations are employed to study the cooperativity using a very well-known experimental compound [4]. A recently published molecular system is reevaluated also by means of DFT calculations to propose novel ligand effects to the low/high spin relative stability [5], while this method is also employed in combination to nuclear inelastic scattering (NIS) data to unveil the coupling between the vibrational levels near one Fe(II) center, with the neighboring centers depending on the relative spin states [6]. This special issue also witnesses the synthesis of new SCO systems and their properties. These include a family of Fe(II) complexes with a new 4-hydroxy 1bpp ligand (1bpp; 2,6-di(pyrazol-1-yl) pyridine) [7], two derivatives of the alkyl-1H-tetrazole series, now exhibiting a propargyl function as a way to perform post-synthetic modifications of SCO compounds [8], and a novel series of Fe(III) heteroleptic molecules exhibiting varying magnetic behaviors, explained in terms of differing types of intermolecular interactions [9]. Abrupt SCO of another series of Fe(III) molecules combining imidazole and Shiff-base related ligands is also explained as a result of hydrogen bonding interactions propagated in one direction of the crystal lattice [10]. A novel Fe(II) mononuclear species made with a pyridylmethyleneaniline ligand featuring an isopropyl group exhibits hysteresis resulting from the coupling of the SCO tran...

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Structure and Magnetic Properties of the Spin Crossover Linear Trinuclear Complex [Fe3(furtrz)6(ptol)2(MeOH)4]·4(ptol)·4(MeOH) (furtrz: furanylidene-4H-1,2,4-triazol-4-amine ptol: p-tolylsulfonate)

Cited by 19 publications

References 25 publications

Abrupt Spin Crossover Behavior in a Linear N1,N2-Triazole Bridged Trinuclear Fe(II) Complex

Abrupt Spin Crossover Behavior in a Linear N1,N2-Triazole Bridged Trinuclear Fe(II) Complex

Cooperative Spin Transitions Triggered by Phonons in Metal Complexes Coupled to Molecular Vibrations

Special Issue “Spin Crossover (SCO) Research”

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