Room temperature ferroelectricity in one-dimensional single chain molecular magnets [{M(Δ)M(Λ)}(ox)2(phen)2]n (M = Fe and Mn)

2017 ◽  
Vol 110 (10) ◽  
pp. 102901 ◽  
Author(s):  
Pramod Bhatt ◽  
M. D. Mukadam ◽  
S. S. Meena ◽  
S. K. Mishra ◽  
R. Mittal ◽  
...  
Keyword(s):  
Room Temperature ◽  
Molecular Magnets ◽  
Single Chain ◽  
One Dimensional ◽  
Fe And Mn

Adiabatic large polarons in anisotropic molecular crystals

2011 ◽  
Vol 35 (1) ◽  
pp. 15-27
Author(s):  
Zoran Ivić ◽  
Željko Pržulj
Keyword(s):  
Energy Transfer ◽  
Effective Mass ◽  
Molecular Crystals ◽  
Single Chain ◽  
Proper Understanding ◽  
One Dimensional ◽  
Interchain Coupling ◽  
Large Polaron ◽  
The One

Adiabatic large polarons in anisotropic molecular crystals We study the large polaron whose motion is confined to a single chain in a system composed of the collection of parallel molecular chains embedded in threedimensional lattice. It is found that the interchain coupling has a significant impact on the large polaron characteristics. In particular, its radius is quite larger while its effective mass is considerably lighter than that estimated within the one-dimensional models. We believe that our findings should be taken into account for the proper understanding of the possible role of large polarons in the charge and energy transfer in quasi-one-dimensional substances.

Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

2021 ◽  
pp. 1-3
Author(s):  
Carina Schlesinger ◽  
Edith Alig ◽  
Martin U. Schmidt
Keyword(s):  
Crystal Structure ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
Orthorhombic Space Group ◽  
Commercial Sample ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bond Pattern

The structure of the anticancer drug carmustine (1,3-bis(2-chloroethyl)-1-nitrosourea, C5H9Cl2N3O2) was successfully determined from laboratory X-ray powder diffraction data recorded at 278 K and at 153 K. Carmustine crystallizes in the orthorhombic space group P212121 with Z = 4. The lattice parameters are a = 19.6935(2) Å, b = 9.8338(14) Å, c = 4.63542(6) Å, V = 897.71(2) ų at 153 K, and a = 19.8522(2) Å, b = 9.8843(15) Å, c = 4.69793(6) Å, V = 921.85(2) ų at 278 K. The Rietveld fits are very good, with low R-values and smooth difference curves of calculated and experimental powder data. The molecules form a one-dimensional hydrogen bond pattern. At room temperature, the investigated commercial sample of carmustine was amorphous.

A new one-dimensional CdIIcoordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands

2016 ◽  
Vol 72 (6) ◽  
pp. 480-484 ◽  
Author(s):  
Qiu-Ying Huang ◽  
Xiao-Yi Lin ◽  
Xiang-Ru Meng
Keyword(s):  
Layered Structure ◽  
Room Temperature ◽  
Weak Interactions ◽  
Coordination Geometry ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Heterocyclic Ligand ◽  
Rich Variety ◽  
Solvent Molecules

The N-heterocyclic ligand 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole (imb) has a rich variety of coordination modes and can lead to polymers with intriguing structures and interesting properties. In the coordination polymercatena-poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ4O1,O1′:O2,O2′]-cadmium(II)-bis{μ-2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole}-κ2N2:N3;κ2N3:N2] dimethylformamide disolvate], {[Cd(C8H4O4)(C11H10N4)]·C3H7NO}n, (I), each CdIIion exhibits an irregular octahedral CdO4N2coordination geometry and is coordinated by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic2−) ligands and two N atoms from two symmetry-related imb ligands. Two CdIIions are connected by two benzene-1,2-dicarboxylate ligands to generate a binuclear [Cd2(1,2-bdic)2] unit. The binuclear units are further connected into a one-dimensional chain by pairs of bridging imb ligands. These one-dimensional chains are further connected through N—H...O hydrogen bonds and π–π interactions, leading to a two-dimensional layered structure. The dimethylformamide solvent molecules are organized in dimeric pairsviaweak interactions. In addition, the title polymer exhibits good fluorescence properties in the solid state at room temperature.

Polar Optical Phonon Instability and Intervalley Transfer in Gallium Nitride

1998 ◽  
Vol 512 ◽  
Author(s):  
B. E. Foutz ◽  
S. K. O'leary ◽  
M. S. Shur ◽  
L. F. Eastman ◽  
B. L. Gelmont ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Analytical Model ◽  
Optical Phonon ◽  
Room Temperature ◽  
Phonon Scattering ◽  
Polar Optical Phonon ◽  
Scattering Mechanism ◽  
Loss Mechanism ◽  
One Dimensional ◽  
Optical Phonon Scattering

ABSTRACTWe develop a simple, one-dimensional, analytical model, which describes electron transport in gallium nitride. We focus on the polar optical phonon scattering mechanism, as this is the dominant energy loss mechanism at room temperature. Equating the power gained from the field with that lost through scattering, we demonstrate that beyond a critical electric field, 114 kV/cm at T = 300 K, the power gained from the field exceeds that lost due to polar optical phonon scattering. This polar optical phonon instability leads to a dramatic increase in the electron energy, this being responsible for the onset of intervalley transitions. The predictions of our analytical model are compared with those of Monte Carlo simulations, and are found to be in satisfactory agreement.

Sterically-induced synthesis of 3d–4f one-dimensional compounds: A new route towards 3d–4f single chain magnets

2008 ◽  
Vol 361 (14-15) ◽  
pp. 3997-4003 ◽  
Author(s):  
G. Calvez ◽  
K. Bernot ◽  
O. Guillou ◽  
C. Daiguebonne ◽  
A. Caneschi ◽  
...  
Keyword(s):  
Single Chain ◽  
One Dimensional ◽  
Sterically Induced ◽  
Single Chain Magnets

Magnetic Properties of Cyano-Bridged Compound Co [Fe(CN)5NO]·5H2O

2014 ◽  
Vol 789 ◽  
pp. 415-418
Author(s):  
Cheng Long Lei ◽  
Qing Lin ◽  
Hai Fu Huang ◽  
Yun He ◽  
Rui Jun Wang
Keyword(s):  
Magnetic Properties ◽  
Binuclear Complex ◽  
Room Temperature ◽  
Magnetic Measurements ◽  
Magnetic Phase ◽  
Ferromagnetic Material ◽  
Molecular Magnets ◽  
Molecular Fragments ◽  
Shift Parameter ◽  
Valence Electrons

The cyano-bridged complex Co [Fe (CN)5NO]·5H2O has been synthesized. According to the reaction of cyanide-based unsaturated ligand precursor (molecular fragments)[BLy(CN)x]n-with the metal ions or complex unsaturated ligand, it is easy to control the structure of molecular magnets and tune up the magnetic properties. Hetero binuclear complex Co [Fe (CN)5NO]∙5H2O was prepared through [Fe (CN)5NO]2- ion. The room temperature Mossbauer spectrum revealed a doublet with the isomer shift parameter (-0.44(7) mm/s) and quadrupole splitting (QS = 1.91(3) mm / s) characteristic for low-spin Fe (III) ions. The low-spin (S = 1/2) of the Fe (III) ion of valence electrons on the electric field gradient (EFG) was caused by non-zero contribution. DC and AC magnetic measurements showed that the complexes belonged to the anti-ferromagnetic material, with a magnetic phase transition temperature below 2K.

scholarly journals Computational Predictions for Single Chain Chalcogenide-Based One-Dimensional Materials

Nanomaterials ◽  
2017 ◽  
Vol 7 (5) ◽  
pp. 115 ◽  
Author(s):  
Blair Tuttle ◽  
Saeed Alhassan ◽  
Sokrates Pantelides
Keyword(s):  
Single Chain ◽  
One Dimensional ◽  
Computational Predictions

Synthesis and Structural Systematics of Nitrogen Base Adducts of Group 2 Salts. VII. Some Complexes of Group 2 Metal Halides With Aromatic N,N'-Bidentate Ligands

1996 ◽  
Vol 49 (1) ◽  
pp. 99 ◽  
Author(s):  
BW Skelton ◽  
AF Waters ◽  
AH White
Keyword(s):  
Room Temperature ◽  
The Novel ◽  
Bidentate Ligands ◽  
Nitrogen Base ◽  
One Dimensional ◽  
X Ray ◽  
L System ◽  
L Systems ◽  
Group 2 ◽  
Structural Characterizations

Syntheses and room-temperature single-crystal X-ray structural characterizations are recorded for a number of adducts of Group 2 halides with the aromatic N,N′- bidentate ligands L = 2,2'-bipyridine ( bpy ) and 1,10-phenanthroline ( phen ). One adduct of 1 : 1 MX2/L stoichiometry is recorded: [( bpy )Ca(μ-Br)(4/2)](∞ ׀ ∞) (1) is monoclinic, C 2/c, a l7.102(5), b 9.845(1), c 7.600(2) Ǻ, β 107.65(2)°, Z = 4 f.u .; conventional R on #1472; F ׀ at convergence was 0.057 for No 817 independent 'observed' ( I > 3σ(I)) reflections, the compound being a one-dimensional polymer… CaL (μ-Br)2CaL(μ-Br)2…, with six-coordinate calcium, cis-CaN2(μ-Br)4, on a twofold axis. 1 : 2 MX2/L systems have been described for two types of array: [( bpy )2CaI2] (2), orthorhombic, Pnca, a 16.914(4), b 13.80(1), c 9.290(4) Ǻ, Z = 4 f.u .; R 0.039 for No 1738, is discrete mononuclear, containing cis-CaN4I2 six-coordinate calcium, whereas the barium analogue is an infinite one-dimensional polymer, [( bpy )2Ba(μ-I)(4/2)](∞׀ ∞) (3), triclinic, Pī, a 11.318(2), b 11.078(2), c 9.206(4) Ǻ, α 80.87(2), β 77.52(2), γ 87.53(1)°, Z = 2 f.u .; R 0.032 for No 4154, with eight-coordinate (N2)2Ba(μ-I)4. The perchlorate analogue, [( bpy )2Ba(μ-OClO2O)(4/2)](∞ ׀ ∞) (4), although of similar stoichiometry, has a trans-rather than a cis-linked chain; it is monoclinic, P 21/c, a 6.606(2), b 18.661(7), c 19.440(8) Ǻ, β 109.45(4)°, Z = 4 f.u .; R 0.044 for No 4060, with μ-I replaced by O,O'-ClO4 bridging units and eight-coordinate barium, (N2)2BaO4. The 1 : 3 MX2/L system is represented (as its hemi( bipyridine ) 'solvate') by mononuclear [( bpy )3SrI2].0.5bpy (5), monoclinic, P 21/c, a 20.834(8), b 9.735(4), c 18.460(7) Ǻ, β 114.87(3)°, Z = 4 f.u .; R 0.039 for No 3711, containing eight-coordinate strontium, [(N2)3SrI2]; there is also an isomorphous calcium/ perchlorate analogue [( bpy )3Ca(OClO3)2].0.5bpy (6), a 21.413(6), b 9.813(4), c 18.659(2) Ǻ, β 115.67(2)°, R 0.057 for No 3090, in which unidentate O-ClO4 ligands replace the iodine about the metal atom. A 1 : 4 adduct is obtained with CaI2/phen; ionic [Ca( phen )4] I2 (7), triclinic, Pī , a 14.703(3), b 13.292(3), c 11.38(1) Ǻ, α 92.78(4), β 96.15(4), γ 105.22(2)°, Z = 2 f.u ., R 0.053 for No 3658, contains eight-coordinate Ca(N2)4 arrays, while the novel 1 : 5 adduct [ Ba ( phen )4] I2.MeCN (8) is triclinic, Pī , a 12.170(6), b 13.760(7), c 18 254(8) Ǻ, α 77.05(9), ,β 71.96(4), γ 70.83(9)°, Z = 2 f.u ., R 0.040 for No 4447, containing 10-coordinate barium, [ Ba (N2)5]. A 1 : 4 adduct formed with BaBr2 is [ BrBa( phen )4] Br.MeOH (9), triclinic, Pī , a 17.748(4), b 17.418(2), c 15.535(7) Ǻ, α 91.63(2), β 100.53(3), γ 115.39(1)°, Z = 4 f.u ., R 0.062 for No 4092, containing nine-coordinate barium, [ BrBa (N2)4].

Supramolecular [Na(15-crown-5)]+ cations anchored to face sharing octahedral lead bromide chains featuring a rotor in a one-dimensional perovskite with a reversible isostructural phase transition near room temperature

CrystEngComm ◽  
2021 ◽  
Author(s):  
Guo-Jun Yuan ◽  
Hong Zhou ◽  
Li Li ◽  
Hong Chen ◽  
Xiaoming Ren
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Crystal Structures ◽  
Crystal Engineering ◽  
Room Temperature ◽  
One Dimensional ◽  
Lead Bromide ◽  
Engineering Study ◽  
Isostructural Phase Transition

Crystal engineering study aims at a better understanding of the correlation between the components and crystal structures, so that the desired crystal structure and functionality will be acquired. In this...

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