Search results for "CONDENSED MATTER"
showing 10 items of 13918 documents
The orientational glass state of argon:Nitrogen and cyanide mixed crystals
1990
Abstract Solid solutions of Ar:N 2 and ( KBr ) 1− x ( KCN ) x mixed crystals show a so-called orientational glass state where the orientations of the aspherical species, N 2 respectively CN - , are frozen in random patterns. The main experimental characteristics of this state and the pertinent theoretical concepts are discussed.
An MEDT study of the mechanism and selectivities of the [3+2] cycloaddition reaction of tomentosin with benzonitrile oxide
2019
Potassium silver thiocyanate
2001
The structure of K[Ag(SCN)2] forms a three-dimensional network consisting of seven-coordinated K atoms and four-coordinated Ag atoms connected together by bridging thiocyanate groups.
2,4-Dibromophenyl 2,6-dibromophenyl ether
2002
The title compound, C12H6Br4O, is the fourth well characterized of a total of potentially 209 different brominated diphenyl ethers. Salient intermolecular interactions are between ether O and aromatic C atoms, and between a bromine substituent and the aromatic ring system.
5,6,7-Trimethoxy-2,3-dihydro-1H,8H-benzo[a]pyrrolo[3,4-c]carbazole-1,3-dione dimethyl sulfoxide solvate
2005
The crystal structure of the title compound, C21H16N2O5·C2H6OS, was determined to investigate the electrocyclic reactivity of 3,4-diaryl-1H-pyrrole-2,5-diones (3,4-bisarylmaleimides) to the yield corresponding carbazole derivatives.
4-Bromophenyl 2,4-dibromophenyl ether
2002
The title compound, C12H7Br3O, belongs to a group of flame retardants known as polybrominated diphenyl ethers (PBDE). Salient features of the packing of the title compound are infinite intermolecular Br⋯Br contact chains along the b direction.
Ethyldimethylammonium oxalate
2006
The title crystal structure, C4H12N+·C2HO4−, contains discrete ethyldimethylammonium cations and oxalate monoanions. Linear chains of oxalate monoanions are formed by strong O—H⋯O hydrogen bonds. These chains are further connected by N—H⋯O and C—H⋯O hydrogen bonds through ethyldimethylammonium cations, forming channels along the a axis.
Heterodimeric capsules formed by tetratosyl and tetratolyl urea calix[4]arenes
2008
Predictions made by MD simulations for size, shape and guest inclusion of a heterodimer formed by a tetratosyl and a tetratolyl urea calix[4]arene and for its hydrogen bonding system have been entirely confirmed by a single crystal X-ray structure.
Quantitative ring contraction of 5-hydroxy-1,3-oxazin-2-ones into 5-hydroxymethyl-1,3-oxazolidin-2-ones: A DFT study
2007
Abstract The ring contraction of trans -5-hydroxy-1,3-oxazin-2-ones 1 into cis -5-hydroxymethyl-oxazolidinones 3 was studied with different bases and nucleophiles and it was found that it is the basicity and not the nucleophilicity the factor responsible for the ring contractions. A DFT study was made for the proposed mechanism.
Tetrakis(tert-butylammonium) benzene-1,2,4,5-tetracarboxylate octahydrate
2007
In the crystal structure of the title compound, 4C4H12N+·C10H2O8 4−·8H2O, there is a centre of symmetry at the centre of the benzene ring; the asymmetric unit comprises one half-anion, two cations and four water molecules. The pyromellitate tetraanion is nonplanar; it and the cations exhibit normal geometry. The two unique carboxylate groups are twisted out of the plane of the benzene ring by about 40 and 50°. The network formed by the ions and water molecules is based on eight O—H...O and six N—H...O strong hydrogen bonds.