2003
DOI: 10.1039/b311007a
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2,2′-Bipyrimidine- and 2,3-bis(2-pyridyl)pyrazine-containing manganese(ii) compounds: structural and magnetic properties

Abstract: The preparation, crystal structures and magnetic properties of four different manganese() compounds of formula [Mn(bipym)Cl 2 ] n ؒ2nH 2 O (1), [Mn 2 (dpp) 3) and [Mn(dpp)(dca) 2 ] n (4) [bipym = 2,2Ј-bipyrimidine, dpp = 2,3-bis(2-pyridyl)pyrazine and dca = dicyanamide anion] are reported. Compounds 1 and 3 are uniform chains of six-coordinated manganese() ions bridged by bis(bidentate) bipym (1) and dpp (3) ligands with two chloride groups (1) and two water molecules (3) in cis position. The electroneut… Show more

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Cited by 68 publications
(43 citation statements)
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“…The total number of all the possible diastereoisomers could not be limited since, according to similar manganese(II) complexes reported in the literature, the two Ow atoms can lie either at trans [22,23] or at cis [24,25] positions. After the Langevin dynamics simulated annealing calculations, the total energy results of twenty different conformations for each starting model have been obtained (Table S6).…”
Section: Molecular Dynamicsmentioning
confidence: 99%
See 1 more Smart Citation
“…The total number of all the possible diastereoisomers could not be limited since, according to similar manganese(II) complexes reported in the literature, the two Ow atoms can lie either at trans [22,23] or at cis [24,25] positions. After the Langevin dynamics simulated annealing calculations, the total energy results of twenty different conformations for each starting model have been obtained (Table S6).…”
Section: Molecular Dynamicsmentioning
confidence: 99%
“…For all the metal ions a default parameter set with R * = 2.20 Å and e * = 0.02 kcal mol À1 was used, since the van der Waals interactions are not expected to play a major role in such bonded representations as in octahedral complexes. Metal-ligand bond lengths were corrected in the final models using harmonic restraints with equilibrium values extracted from crystallographic data of similar compounds [18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35] (Tables S1, S3, S5, S7, S9). Non-bonded interactions were calculated in vacuo with no cutoff and the electrostatic energy term was treated using bond dipoles.…”
Section: Molecular Modelingmentioning
confidence: 99%
“…Additionally, due to a two-fold rotation axis a unique M-Cl bond distance is found with the following values: 2.3771 (13) It should be noted that the reported bipyrimidine bridged 1D coordination polymer, [μ-(bpym)MnCl 2 ] n , was crystallized from water affording a monoclinic cell. 5 Hence, there is no isomorphism with the structures of [μ-(bpym)FeCl 2 ] n (1) and…”
Section: Synthesis and Crystal Structurementioning
confidence: 99%
“…To our knowledge, there are only eight structurally characterized 1D regular homonuclear coordination polymers [μ-(bpym)ML 2 ] n systems for 3d transition metals, 4,5,12 with only one Fe example 9 and one Co example. 11 With these new examples reported herein, the [μ-(bpym)MCl 2 ] n family becomes the biggest of them summing up just three members.…”
Section: Synthesis and Crystal Structurementioning
confidence: 99%
“…In recent years, much attention has been devoted to dicyanamide-anion-(dca-) bridged coordination polymers [30][31][32][33][34][35][36][37][38][39][40][41][42] for the large variety of magnetic properties, especially the -M(dca) 2 series of compounds, which have isomorphous rutile-like structure, display ferromagnetism (Co, Ni) [43][44][45][46], spin-canted antiferromagnetism (Cr, Mn, Fe) [47,48], and paramagnetism (Cu) [45,46]. Of further importance, from a structural perspective, when auxiliary L ligands are introduced to the ternary M II -dca-L systems, different coordination architectures, such as mononuclear and dinuclear compounds [49], 1D chains [50][51][52][53][54][55][56][57][58], 2D (4,4) or (6,3) [59][60][61][62][63] sheets, and 3D network topologies [64][65][66][67], could be constructed (Scheme 1). Inter...…”
Section: Introductionmentioning
confidence: 99%