Search results for "Molecular solid"

Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands

2004

A trinuclear cluster complex containing the Mo(3)S(7) central unit coordinated to dithiolate ligands, in particular the organic dmit (1,3-dithia-2-thione-4,5-dithiolate) anion, has been used to prepare a single-component molecular conductor formed by the threefold symmetry magnetic building block Mo(3)S(7)(dmit)(3) (1). The [Mo(3)S(7)(dmit)(3)](2)(-) ([1](2)(-)) diamagnetic anion forms dimers by interaction between the electrophilic cluster axial sulfur atoms and the sulfur atoms of the outer dithiolate ligand. Additional contacts between adjacent dmit ligands result in chain formation. The two-electron oxidation of [1](2)(-) yields to a three-dimensional molecular solid formed by neutral M…

Atmosphere-Induced Effect in Microhardness, Dislocation Mobility and Plasticity of C60and Graphite Crystals

1997

Abstract Formation of hard, brittle and toluene-insoluble near-surface layer (∼0.3 μm) of C60 crystals under atmospheric exposure was observed. Similar atmosphere-induced effect was found for graphite crystals and might also be expected for other molecular solids. Data on ageing kinetics of C60 and graphite crystals are presented. Variation of hardness with indentation depth can be described by the microhardness model for bilayer medium with different mechanical properties. Specific feature of C60 and graphite crystals is that no size effect appears in the intrinsic microhardness and dislocation mobility characteristics in the indentation depth range of 0.6–4μm.

Formation of As8 dimers in molecular solid-state arsenic

1997

Abstract Molecular yellow arsenic (y-As) consists of tetrahedral As 4 molecules that may be packed in various ways. All y-As modifications, both disordered and crystalline, are metastable and undergo irreversible transitions (polymerization) under action of heat and light, which cause a change in the nature of bonding in the molecules. Polymerization of y-As leads to the formation of amorphous arsenic (a-As) possessing a continuous random network structure. DTA studies show that polymerization is an activated exothermic process. The value of its enthalpy agrees satisfactorily with an estimate of the excess energy of strained ‘banana-shaped’ bonds in an As 4 molecule. Quantum chemical calcul…

A New Conducting Molecular Solid Based on the Magnetic [Ni(dmf)6]2+ Cation and on [Ni(dsit)2]22− (dsit=1,3-dithiole-2-thione-4,5-diselenolate) Showin…

2002

The synthesis, X-ray structure, magnetic and transport properties of the compound Ni(dmf) 6 [Ni(dsit) 2 ] 2 (dmf=dimethylformamide, dsit = 1,3-dithiole-2-thione-4,5-diselenolate) are described. This compound crystallizes in the monoclinic space group P2 1 /c, with a = 18.709(6), b = 22.975(5), c = 20.418(5) A, β = 99.31(2)° and Z = 6; its structure consists of [Ni(dsit) 2 ] 2- 2 dimers and isolated [Ni(dmf) 6 ] 2+ cations both centrosymmetric and non-centrosymmetric. The dimers are packed forming chains along the [101] direction with short Se...Se interdimer contacts. Additional interchains S...S contacts render this structure a three-dimensional character, never observed so far in other [N…

Structure Determination from Powder X-Ray Diffraction Data of a Hydrogen-Bonded Molecular Solid with Competing Ferromagnetic and Antiferromagnetic In…

1995

Spin canting in Re(IV) complexes: magnetic properties of [ReX4(bpym)] ( X = Cl and Br; bpym = 2,2′-bipyrimidine)

2008

The mononuclear complexes [ReCl4(bpym)] (1) and [ReBr4(bpym)] (2) (bpym = 2,2′-bipyrimidine) are weak ferromagnets. Magnetic ordering occurs below 7.0 (1) and 20.0 K (2) and good hysteresis loops are observed for the two compounds at 2.0 K. A spin-canting phenomenon, i.e., a non-strict linearity of the individual spins aligned in an anti-parallel way by intermolecular antiferromagnetic coupling occurring in many Re(IV) complexes, accounts for these magnetic features which are unusual in molecular solids such as 1 and 2.

Supramolecular Interactions and Smart Materials: C-X…X′-M Halogen Bonds and Gas Sorption in Molecular Solids

2010

Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids

2021

Ordered helium trapping and bonding in compressed arsenolite: Synthesis ofAs4O6·2He

2016

Compression of arsenolite has been studied from a joint experimental and theoretical point of view. Experiments on this molecular solid at high pressures with different pressure-transmitting media have been interpreted thanks to state-of-the-art ab initio calculations. Our results confirm arsenolite as one of the most compressible minerals and provide evidence for ordered helium trapping above 3 GPa between adamantane-type $\mathrm{A}{\mathrm{s}}_{4}{\mathrm{O}}_{6}$ cages. Our calculations indicate that, at relatively small pressures, helium establishes rather localized structural bonds with arsenic forming a compound with stoichiometry $\mathrm{A}{\mathrm{s}}_{4}{\mathrm{O}}_{6}\ifmmode\c…

Excitation of rotons in parahydrogen crystals: The laser-induced-molecular-alignment mechanism

2013

Solid parahydrogen (p-H₂) is known to support long-lived coherences, of the order of 100 ps, which enables high-resolution spectroscopy in the time domain. Rotational Raman-type excitations to sublevels of J=2 are delocalized due to electric-quadrupole–quadrupole coupling in p-H₂ crystals, and the resulting states can be characterized as rotons. Wave packets of rotons exhibit molecular alignment with respect to laboratory coordinates. Here the concept of field-free molecular alignment, induced by strong ultrashort laser pulses, is extended into a molecular solid case. We derive a solid-state analog for the gas-phase alignment measure and illustrate the time-dependent alignment degree in p-H…