2,794 research outputs found
(E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-N,N-diphenylcyclopropanecarboxamide
The title compound, C21H19ClF3NO, was synthesized from 3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid and diphenylamine. The propenyl and carboxamide substituents lie on the same side of the cyclopropane ring plane, with the two methyl substituents on either side of the plane. The phenyl rings of the carboxamide are inclined at an angle of 84.6 (3)° to one another. The F atoms are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4
(E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-N-(2-naphthyl)cyclopropanecarboxamide
The title compound, C19H17ClF3NO, was synthesized from 3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid and 2-aminonaphthalene. There are two molecules in the asymmetric unit. The dihedral angle between the naphthalene and cyclopropane units is 111.6 (5)°. Molecules are connected into chains by intermolecular N—H⋯O hydrogen bonds. One of the Cl atoms is disordered over two positions with occupancies 0.653 (15) and 0.347 (15)
Orbital density wave induced by electron-lattice coupling in orthorhombic iron pnictides
In this paper we explore the magnetic and orbital properties closely related
to a tetragonal-orthorhombic structural phase transition in iron pnictides
based on both two- and five-orbital Hubbard models. The electron-lattice
coupling, which interplays with electronic interaction, is self-consistently
treated. Our results reveal that the orbital polarization stabilizes the spin
density wave (SDW) order in both tetragonal and orthorhombic phases. However,
the ferro-orbital density wave (F-ODW) only occurs in the orthorhombic phase
rather than in the tetragonal one. Magnetic moments of Fe are small in the
intermediate Coulomb interaction region for the striped antiferromangnetic
phase in the realistic five orbital model. The anisotropic Fermi surface in the
SDW/ODW orthorhombic phase is well in agreement with the recent angle-resolved
photoemission spectroscopy experiments. These results suggest a scenario that
the magnetic phase transition is driven by the ODW order mainly arising from
the electron-lattice coupling.Comment: 21 pages, 10 figure
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