Exploration and synthesis of condensed coordination networks with modified magnetic properties

Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian

doi:10.1039/c2ce26617b

Cited by 26 publications

(25 citation statements)

References 48 publications

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“…Note that the same topology of the coordination network is observed in [Ni(NCS) 2 (2-methylpyrazine) 2 ] n and that this compound shows a metamagnetic transition at 150 Oe. [66] A similar behavior is also observed for the corresponding compound with 2-chloropyrazine, but the metamagnetic transition occurs at very high fields in this case. [65] To ex-clude metamagnetic behavior for 3-Ni/I, additional measurements at 10, 20, and 100 Oe were performed; as the results are similar to those at 1000 Oe, a metamagnetic transition at very low field can be excluded ( Figure S35).…”

Section: Magnetic Investigationssupporting

confidence: 74%

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Thiocyanato Coordination Polymers with Isomeric Coordination Networks – Synthesis, Structures, and Magnetic Properties

et al. 2015

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In this work we present the vibrationally resolved optical absorption spectrum of p‐hydroxybenzylidene‐2,3‐dimethylimidazolinone (HBDI), the green fluorescent protein (GFP) chromophore, computed at several levels of theory, including time‐dependent DFT with various functionals and basis sets, CASSCF, CASPT2 and XMCQDPT2. We also investigated what happens to the spectrum if the ground‐ and excited‐state geometries are optimized at different levels of theory (mixed approach), as has been used previously. The vibrationally resolved absorption spectra obtained by DFT, CASPT2 and XMCQDPT2 are very similar and consist of a main absorption peak and a shoulder that is ∼1500 cm−1 higher in energy. The vibrational progression increases moderately with temperature. These spectra are in qualitative agreement with experimental action spectra, but much narrower and lack the long tail in the blue, even at high temperatures. Because our calculated emission spectra, which are equally narrow, are in good agreement with the emission of green fluorescent protein at 253 K, we argue that the action spectrum are too broad to be considered as the absorption spectrum. The CASSCF method and the mixed approaches overestimate the vibrational progressions with respect to CAM‐B3LYP, CASPT2 and XMCQDPT2, due to inaccuracies in the geometric S0→S1 displacements. Finally, we computed the vibronic spectra of four chromophore analogues with different substitutions on the rings and found that these substitutions hardly affect the lineshape in vacuum.

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Section: Magnetic Investigationssupporting

confidence: 74%

“…[56][57][58][59][60][61][62][63][64][65][66] In most cases, we crystallized structures in which the metal cations are linked by pairs of anionic ligands into chains.…”

Section: Introductionmentioning

confidence: 99%

Thiocyanato Coordination Polymers with Isomeric Coordination Networks – Synthesis, Structures, and Magnetic Properties

et al. 2015

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“…2 ] n : DC measurements above and below the critical field and initial curve (inset). [176] Magnetic measurements reveal that the cobalt compound is a metamagnet and that no slow relaxation of the magnetization is observed. The nickel compound shows a similar behavior and for M = Fe an antiferromagnetic transition is observed (Figure 24).…”

Section: /Kap1mentioning

confidence: 99%

“…The nickel compound shows a similar behavior and for M = Fe an antiferromagnetic transition is observed (Figure 24). [128,176] In this case it is assumed that the ferromagnetic thiocyanato chains are antiferromagnetically coupled by additional anionic ligands.…”

Section: /Kap1mentioning

confidence: 99%

A Rational Route to Coordination Polymers with Condensed Networks and Cooperative Magnetic Properties

Näther

Wöhlert

Boeckmann

et al. 2013

Zeitschrift anorg allge chemie

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Abstract. In this report a rational route to coordination polymers that can show cooperative magnetic phenomena is presented. In this approach compounds based on transition metal cations, small sized terminal N-bonded anionic ligands and additional neutral N-donor coligands are heated, which lead to the formation of intermediates, in which the metal cations are linked by the anionic ligands. Predominantly, the use of this method for the synthesis of bridged thio-and selenocyanato coordination compounds is described in this article but it can also be extended for the preparation of other compounds. In most cases the intermediates are formed in very pure form and in quantitative yields. Thus, compounds, which are not or at least very difficult to obtain, can be prepared if the synthesis is performed in solution. This is especially valid for thio-and selenocyanato coordination compounds, which mostly prefer terminal bonding instead of bridging co-

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“…[31][32][33][34][35] However, in some cases 2D thiocyanato networks are observed, in which the metal cations are linked by single thiocyanato anions into layers, like in [Ni(NCS) 2 (2-methylpyrazine) 2 ] n , and the analogous Co compound in which the metal cations are linked by alternating pairs of thiocyanato anions and single thiocyanato anions into a 2D network ( Figure 1). [36,37] In our ongoing project on the synthesis, structure, and properties of such thiocyanato coordination polymers we were especially interested in systematic investigations on the influence of a chemical and structural modification on the magnetic properties of such compounds. [3] For compounds in which the metal (M) cations are coordinated to, for example, pyridine and are linked by pairs of μ-1,3-bridging thiocyanato ligands into linear chains, we observed antiferromagnetic intrachain coupling for M = Mn, and ferromagnetic intrachain and antiferromagnetic interchain coupling leading to metamagnetic behavior for M = Fe, Ni, and for M = Co ferromagnetic intrachain interactions, and a slow relaxation of the magnetization is observed.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Structure, and Properties of Coordination Polymers with Layered Transition‐Metal Thiocyanato Networks

et al. 2015

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Exploration and synthesis of condensed coordination networks with modified magnetic properties

Cited by 26 publications

References 48 publications

Thiocyanato Coordination Polymers with Isomeric Coordination Networks – Synthesis, Structures, and Magnetic Properties

Thiocyanato Coordination Polymers with Isomeric Coordination Networks – Synthesis, Structures, and Magnetic Properties

A Rational Route to Coordination Polymers with Condensed Networks and Cooperative Magnetic Properties

Synthesis, Structure, and Properties of Coordination Polymers with Layered Transition‐Metal Thiocyanato Networks

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