Related Experiment Video
Updated: Feb 17, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3- Groups
Mingjun Xia1, Molin Zhou1,2, Fei Liang1,2
1Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, China.
Abstract:
Single crystals of K6Cd3(C3N3O3)4 (1) were successfully grown via a solid-state cyclotrimerization reaction method from CdCl2 and KOCN. To our best knowledge, it is the first inorganic compound containing isolated six-membered-ring (6-MR) anionic groups that crystallizes in the cubic system. In the structure, the basic 6-MR anionic unit is a planar π-conjugated (C3N3O3)3- group that is isoelectronic with the (B3O6)3- group, as observed in the benchmark nonlinear-optical (NLO) crystal β-BaB2O4 with strong second-harmonic-generation response. In addition, the electronic structure and linear-optical and NLO properties for 1 were also investigated by the first-principles calculation. The NLO coefficient (d14 = 1.17 pm/V) of 1 is about 3 times that of KH2PO4.
More Related Videos
09:16X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
Published on: June 8, 2016
10:51The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
Related Concept Videos
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Radicals: Electronic Structure and Geometry
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...
Valence Bond Theory
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group...
Coordination Number and Geometry