In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first principle methods.Our analysis shows that increasing the electric field in boron-nitride nanotube (BNNT) decreases the Highest Occupied Crystal Orbi...

New Schiff-base compound (E)-4-methoxy-N-(4-hydroxybenzylidene) aniline has been synthesized from the reaction of 4-hydroxybenzaldehyde with 4-methoxyaniline in methanol at 50ºC, and has been characterized by using elemental analysis and FT-IR spectroscopy. The crystal structure of the title compound has been determined by single crystal X-ray diffraction study. The title compound crystallizes ...

The reaction of barium chloride with 2, 6-pyridinedicarboxylic acid in water led to the formation of a novelpolymeric complex formulated as {[Ba2(Hpydc)2(pydc)(H20)3].H20.(H2pydc)}.(I). The crystal structure of (I)was characterized by single crystal X-ray diffraction method. The complex was crystallized in the monoclinicsystem with space group P2/c, with four molecule in unit-cell, e.g Z=4. The...

A [2+2] cycloaddition reaction has been observed in a number of solids. The cyclobutane ring in a photodimerized material can be cleaved into olefins by UV light and heat. The high thermal stability of the metal-organic salt K2SDC (H2SDC = 4,4'-stilbenedicarboxylic acid) has been successfully utilized to investigate the reversible cleavage of a cyclobutane ring. The two polymorphs of K2SDC unde...

[2+2]Photodimerization of the title compound, C(19)H(20)ClNO(3), has been observed in situ by single-crystal X-ray diffraction. Pairs of monomers related by centers of symmetry have parallel C=C bonds at a C.C distance of 4.155 (17) A. Irradiation of a single crystal with a mercury lamp achieves 100% conversion to the dimer. Redetermination of the structure during the course of the reaction rev...

The chiral crystal of enantiomeric (S)-N-3,5-di-tert-butylsalicylidene-1-phenylethylamine in the enol form [enol-(S)-1] undergoes a reversible single-crystal-to-single-crystal (SCSC) phase transition at Tc ≈ 3 ◦C from the room temperature α-form in orthorhombic space group P212121 (Z′ = 1) to the low temperature β-form in the monoclinic space group P21 (Z′ = 2) with a thermal hysteresis of appr...

The properties of metal-organic frameworks (MOFs) can be tuned by postsynthetic modification (PSM) to introduce specific functionalities after their synthesis. Typically, PSM is carried out on pendant functional groups or through metal/ligand exchange, preserving the structure of the MOF. We report herein the bromination of integral alkyne units in a pair of Zr(4+) and Hf(4+) MOFs, which procee...