Search results for "Phenylene"
showing 10 items of 457 documents
Discotic Twin and Triple Molecules with Charge-Transfer Interactions in Langmuir−Blodgett Films
1996
X-ray and atomic force microscopy observations reveal features of the surface morphology of Langmuir-Blodgett (LB) films from discotic donor-acceptor molecules with strong core-to-core interactions caused by a charge-transfer (CT) complexation. The compounds are designed to be twin and triple molecules composed of chemically connected donor (triphenylene) and acceptor (trinitrofluorenone) fragments which display liquid crystalline structure in the bulk state. The LB films from these compounds possess edge-on orientation of molecules within monolayers with a smooth surface on a submicron scale but with substantial macroscopic imperfections. These imperfections are represented by the micron s…
Red and blue luminescent metallo-supramolecular coordination polymers assembled through π–π interactions †
2000
The use of π-stacking interactions to control the aggregation of photo-active metal centres is explored through the design of bis(2,2′;6′,2′′-terpyridyl) metal complexes functionalised with biphenyl ‘tails’. Aryl–aryl interactions control the aggregation of the metal complexes into polymetallic arrays in the solid state. Cobalt(II), ruthenium(II), nickel(II), copper(II), zinc(II) and cadmium(II) bis-ligand complexes and a mixed ligand ruthenium(II) complex have been structurally characterised. The solid-state structures are dependent on which units dominate the π-stacking. For cobalt, ruthenium, nickel and copper, biphenylene–biphenylene interactions lead to linear rod-like arrays, while fo…
Efficient electroorganic synthesis of 2,3,6,7,10,11-hexahydroxytriphenylene derivatives
2012
2,3,6,7,10,11-Hexahydroxytriphenylene of good quality and purity can be obtained via anodic treatment of catechol ketals and subsequent acidic hydrolysis. The electrolysis is conducted in propylene carbonate circumventing toxic and expensive acetonitrile. The protocol is simple to perform and superior to other chemical or electrochemical methods. The key of the method is based on the low solubility of the anodically trimerized product. The shift of potentials is supported by cyclic voltammetry studies.
Theoretical study of the derivative hydrocarbons of biphenylene. I. Electronic spectrum of the biphenylene
1969
The electronic spectrum of biphenylene has been studied theoretically. The investigation is based on the semi-empirical LCAO SCF MO method with various degrees of approximations. The results have been analysed with regard to the following two factors: (a) The difference in effective electronegativity between the carbon atoms in the four-membered ring and the other carbon atoms in the molecule. (b) The inclusion of doubly excited configurations in the description of the π-electronic molecular states. The theory satisfactorily interprets the excitation energies and the nature of the electronic transitions. The predictions are particularly affected by the inclusion of the doubly excited config…
Synthesis and Characterization of Fluorescent, Low-Symmetry Triphenylene Discotic Liquid Crystals: Tailoring of Mesomorphic and Optical Properties
1996
A series of monofunctionalized triphenylene-based discotic liquid crystals were synthesized starting from 2-hydroxy-3,6,7,10,11-pentakis(pentyloxy)triphenylene. These compounds are unique in that they possess a single electron-withdrawing group (and consequently a large dipole moment) connected directly to the polyaromatic core. All of the new liquid crystals show a significantly broader range of mesogenicity relative to the parent compound 2,3,6,7,10,11-hexakis(pentyloxy)triphenylene. Moreover, some of the new mesogens exhibit a more ordered mesophase relative to the hexagonal columnar phase (Dh) at lower temperatures. Monofunctionalization of the triphenylene core has a dramatic effect on…
Vibrational spectra and DFT calculations of PPV-oligomers
2003
The first two members of the p-phenylenevinylene- oligomer family (i. e. 1, 4-distyrylbenzene [DSB] and 4, 4'-distyrylstilbene [DSS]) were synthesized and their infrared and Raman spectra recorded and empirically assigned. Molecular geometries were optimized for the planar point group (C2h) by the density functional theory (DFT) method using the B3LYP functional and 6-31G* basis set. Calculations of vibrational spectra, including intensities, were carried out subsequently using the DFT method with the same basis set and linear scaling was applied. Calculated vibrational wavenumbers are in a fair agreement with our own experimental spectra. In order to explore changes in vibrational dynamics…
Dicopper(II) Metallacyclophanes with Oligo(p-phenylene-ethynylene) Spacers: Experimental Foundations and Theoretical Predictions on Potential Molecul…
2013
Two novel double-stranded dicopper(II) metallacyclophanes of formula (nBu4N)4[Cu2(dpeba)2]·4MeOH·2Et2O (1) and (nBu4N)4[Cu2(tpeba)2]·12H2O (2) have been prepared by the Cu(II)-mediated self-assembly of the rigid ('rod-like') bridging ligands N,N'-4,4'-diphenylethynebis(oxamate) (dpeba) and N,N'-1,4-di(4-phenylethynyl)phenylenebis(oxamate) (tpeba), respectively. Single crystal X-ray diffraction analysis of 1 confirms the presence of a dicopper(II)tetraaza[3.3]4,4'-diphenylethynophane metallacyclic structure featuring a very long intermetallic distance between the two square planar Cu(II) ions [r = 14.95(1) Å]. The overall parallel-displaced π-stacked conformation of the two nearly planar par…
The chemistry of Cr(VI) adsorption on to poly(p-phenylenediamine) adsorbent
2019
Abstract Water pollution due to industrial processes has necessitated and spurred robust research into the development of adsorbent materials for remediation. Polyphenylenediamines (PPD) have attracted significant attention because of their dual cationic and redox properties. They are able to reduce Cr(VI) to Cr(III) in solution. Interrogation of the chemical processes involved in the Cr(VI) adsorption on para-PPD was primarily by X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FT-IR) spectroscopy. It was confirmed that the underlying oxidation of the amino groups to imines during the reduction of Cr(VI) to Cr(III) was irreversible. This process occurred at both acidi…
On the use of PET-LCP copolymers as compatibilizers for PET/LCP blends
1996
Copolyesters of poly[ethylene terephthalate) (PET) with a liquid crystalline polymer (LCP), SBH 1:1:2, have been synthesized by the polycondensation, carried out in the melt at temperatures up to 300 degrees C of sebacic acid (S), 4,4'-dihydroxybiphenyl (B), and 4-hydroxybenzoic acid (H) in the presence of PET. The PET-SBH copolyesters have been characterized by differential scanning calorimetry, scanning electron microscopy, X-ray diffraction, etc., and the relationships between properties and preparation conditions are discussed. The copolyesters show a biphasic nature, which is more evident for the products synthesized with a thermal profile comprising relatively lower temperatures (220-…
Coordination polymers based on bridging cyanocarbanions and bis-tridentate p-phenylenediamine ligands
2017
Two new Cu(II) coordination polymeric neutral chains of formula [Cu 2 (1,4-tpbd)(μ-A) 2 (H 2 O) 2 ](A) 2 with A = tcnoet − ( 1 ) and tcnopr − ( 2 ) (1,4-tpbd = N,N,N′N′ -tetrakis(2-pyridylmethyl)benzene-1,4-diamine, tcnoet − = 1,1,3,3-tetracyano-2-ethoxypropenide and tcnopr − = 1,1,3,3-tetracyano-2-propoxypropenide) have been synthesized and characterized by infrared spectroscopy, X-ray diffraction and magnetic measurements. 1 and 2 show alternating chains where the 1,4-tpbd and the cyanocarbanion units (tcnoet − for 1 and tcnopr − for 2 ) alternate as bridging ligands. The molecular structure can be viewed as [Cu 2 (μ-tpbd)] 4+ dinuclear units (with Cu⋯Cu distances of 8.2233(3) for 1 …