Abstract Barocaloric cooling, that is, lowering the temperature of a material under pressure action, is an attractive solid‐state effect can potentially compete with volatile gas‐based cooling. To observe barocaloric (BCE), it necessary for materials to have high‐entropy, low‐hysteretic phase transitions large volume change between phases. Here details on new Fe II complex [Fe(L)(NCS) 2 ], L = N 1 , 3 ‐bis((1‐propyl‐1 H ‐1,2,3‐triazol‐4‐yl)methylene)‐2,2‐dimethylpropane‐1,3‐diamine)...

Little is known about the mechanisms behind bistability (memory) of molecular spin transition compounds over broad temperature ranges (>100 K). To address this point, we report on a new discrete FeII neutral complex [FeIIL2]0 (1) based novel asymmetric tridentate ligand 2-(5-(3-methoxy-4H-1,2,4-triazol-3-yl)-6-(1H-pyrazol-1-yl))pyridine (L). Due to cone-shaped form, in lattice, formed molecules stack into one-dimensional (1D) supramolecular chain. In case rectangular arrangement chains...

Self-assembling iron(II), 2-fluoropyrazine (Fpz), and [MII(CN)4]2- (MII = Ni, Pd, Pt) or [AuI(CN)2]- building blocks have afforded a new series of two- (2D) three-dimensional (3D) Hofmann-like spin crossover (SCO) coordination polymers with strong cooperative magnetic, calorimetric, optical properties. The iron(II) ions, lying on inversion centers, define elongated octahedrons equatorially surrounded by four equivalent centrosymmetric μ4-[MII(CN)4]2- groups. axial positions are occupied two...

Abstract The reaction of Salen‐like Zn II and Ni precursors with carbacylamidophosphate lanthanide moieties yields six new types 3d–4f compounds. complexes were characterized by means 1 H, 31 P NMR IR spectroscopy, elemental analysis, ESI mass spectrometry, X‐ray diffraction analysis. Depending on the Schiff base ligands, ion adopts either a square‐planar or an octahedral geometry, whereas has tetragonal‐pyramidal geometry. coordination number lanthanides is nine ten. Hydrolytic activities...

Octahedrally coordinated spin crossover (SCO) Fe

We report herein a series of neutral trans-thiocyanate mononuclear spin crossover (SCO) complexes, [FeIIL(NCS)2] (1-4), based on tetradentate ligands L obtained by reaction N-substituted 1,2,3-triazolecarbaldehyde with 1,3-propanediamine or 2,2-dimethyl-1,3-diaminopropane [L = N1,N3-bis((1,5-dimethyl-1H-1,2,3-triazol-4-yl)methylene)propane-1,3-diamine/-2,2-dimethylpropane-1,3-diamine, 1/2 and N1,N3-bis((1-ethyl/1-propyl-1H-1,2,3-triazol-4-yl)methylene)-2,2-dimethylpropane-1,3-diamine, 3/4]....

The influence of the charge and steric hindrance on spin state a series four monomeric FeII complexes derived from tridentate ligands 2-(1H-benzoimidazol-2-yl)-1,10-phenanthroline (Hphenbi) 2-(1H-benzoimidazol-2-yl)-9-methyl-1,10-phenanthroline (Hmphenbi) their deprotonated forms (phenbi−, mphenbi−) are investigated. crystal structure magnetic properties show that [Fe(Hphenbi)2](BF4)2·1.5C6H5NO2·H2O (1) its neutral form [Fe(phenbi)2]0·2CHCl3·H2O (2) low-spin at 400 K due to strong ligand...

Materials based on spin crossover (SCO) molecules have centered the attention in molecular magnetism for more than 40 years as they provide unique examples of multifunctional and stimuli-responsive materials, which can be then integrated into electronic devices to exploit their bistability. This process often requires preparation thermally stable SCO that sublime remain intact contact with surfaces. However, number robust sublimable is still very scarce. Here, we report a novel example this...

The paper presents an experimental study of spin transition thiocyanate complexes Fe(<sc>ii</sc>) with aliphatic substituents focus on the interaction between spin- and phase-transitions.

A series of new anionic lanthanide(III) complexes with the general formula NEt4[LnL4] (1-Ln; HL = dimethyl[(4-methylphenyl)sulfonyl]amidophosphate; Ln La, Nd, Eu), were synthesized and characterized by IR, UV-vis, NMR spectroscopies, differential scanning calorimetry method, thermogravimetric X-ray analysis, photoluminescence measurements. Single-crystal structures NEt4[EuL4] (1-Eu) determined at 293 100 K evidenced single-crystal-to-single-crystal phase transition. Both phases are in...

In the title compound, C(6)H(13)Cl(3)N(3)O(2)P or CCl(3)C(O)NHP(O)(N(CH(3))(2)), phosphinoyl group is synclinal to carbonyl and acts as an acceptor for inter-molecular N-H⋯O hydrogen bond from amide donor.

In the asymmetric unit of crystal structure title compound, C(16)H(17)Cl(3)N(3)O(2)P, there are two crystallograph-ically independent mol-ecules, which form dimers via N-H⋯O hydrogen bonding between N-H group and P=O group. mol-ecular structure, phosphoryl is anti to carbonyl The benzene rings oriented at dihedral angles 54.3 (2) 49.7 (2)° in mol-ecules.

The crystal structure of the title compound, [U(NO(3))(2)O(2)(C(10)H(17)Cl(3)N(3)O(2)P)(2)], is composed centrosymmetric [UO(2)(L)(2)(NO(3))(2)] mol-ecules {L N-[bis-(pyrrolidin-1-yl)phosphor-yl]-2,2,2-trichloro-acetamide, C(10)H(17)Cl(3)N(3)O(2)P}. U(VI) ion, located on an inversion center, eight-coordinated with axial oxido ligands and six equatorial oxygen atoms phosphoryl nitrate groups in a slightly distorted hexa-gonal-bipyramidal geometry. One pyrrolidine fragments ligand disordered...

New Fe II complexes based on the well-known tripodand ligand type undergo abrupt hysteretic spin transition due to symmetry-breaking in room temperature region.

AbstractAbstractA series of mixed–ligand lanthanide complexes, Ln(Pip)3(iPrOH)x (x = 2 for Ln(III) La, Ce–Nd, Sm–Eu and x 1 Gd–Lu; HPip is 2,2,2-trichloro-N-(dipiperidin-1-yl-phosphoryl)acetamide, the carbacylamidophosphate (CAPh) ligand), has been synthesized identified. Using indirect techniques (FT-IR, 1H, 31P-NMR, absorption spectroscopy) X-ray diffraction method (for europium complex) it was found that three Pip-ligands are coordinated to lanthanide(III) ions in a bidentate chelate...

In the title complex, [Cu(C8H11NO5PS)(C18H15P)2], Cu(I) ion is coordinated by two tri-phenyl-phosphane mol-ecules and O atoms of chelating dimeth-yl(phenyl-sulfon-yl)amido-phosphate anion, generating a squashed CuO2P2 tetrahedron. six-membered chelate ring, Cu, P are almost coplanar (r.m.s. deviation = 0.024 Å), with N S displaced in same direction, 0.708 (5) 0.429 (2) Å, respectively.

In the title compound, {[Cu(C10H14N4Se)2(H2O)]Cl2·H2O}n, CuII ion, lying on a twofold rotation axis, has square-pyramidal geometry constituted by four N atoms of pyrazolyl groups in basal plane and an apical O atom water mol­ecule. A pair bis­(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridge Cu centers into polymeric double-chain extending along [001]. The chloride anions are involved inter­molecular N—H⋯Cl O—H⋯Cl hydrogen bonds, which link chains three-dimensional network.

In the cation of title compound, C(7)H(12)ClN(2)Se(+)·Cl(-), ethyl-ene groups and Se-Cl fragment adopt a cis configuration with C-Se-Cl angle 96.09 (6)°. crystal, inter-molecular N-H⋯Cl hydrogen bonds link two cations chlorine anions into centrosymmetric clusters. π-π inter-actions between pyrazole rings [centroid-centroid distance 3.530 (2) Å] these clusters columns along [001] short Se⋯Cl(-) contacts 2.995 (1) Å.

The asymmetric unit of the title compound, [ErCl(3)(C(10)H(17)Cl(3)N(3)O(2)P)(3)], contains two independent mol-ecules. In each mol-ecule, Er(III) ion is six-coordinated in a slightly distorted octa-hedral ErO(3)Cl(3) geometry with fac-arrangement donor atoms. Intra-molecular N-H⋯Cl hydrogen bonds influence mol-ecular conformations. Some pyrrolidine fragments N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide ligands are disordered over conformations equal occupancy. unusually...

In the title compound, [UO(2)L(2)(NO(3))(2)] {L = N-{bis-[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide, C(16)H(17)Cl(3)N(3)O(2)P}, U(VI) ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from phosphoryl nitrate groups in a distorted hexa-gonal-bipyramidal geometry. There disordered fragments two coordinating L ligands: trichloro-methyl group is rotationally between orientations [occupancy ratio 0.567 (15):0.433 (15)] one ligand,...