1625-82-7Relevant academic research and scientific papers
Band-Shape Analysis of teh Charge-Transfer Fluorescence in Barrelene-Based Electron Donor-Acceptor Compounds
Cortes, Jose,Heitele, Hans,Jortner, Joshua
, p. 2527 - 2536 (1994)
In this paper we analyze the band shapes of the stationary fluorescence spectra for the radiative charge transfer recombination D+-A- -> D-A + hν in a series of barrelene-based organic bridged donor (D)-acceptor (A) molecules D-A, exploring solvent polarity and temperature effects on the band shape.Free energy changes for charge recombination, medium reorganization energies, and intramolecular reorganization energies (for high- and medium-frequency vibrational modes) were evaluated from the band maximum energies and the full widths at half-maximum and from the fits of standard Franck-Condon factors to the entire fluorescence band shape.Utilization of a single high-frequency intramolecular model (hωi = 1300 cm-1) in conjunction with solvent modes provided a satisfactory fit of the band shape; however, such an analysis results in unphysically large medium reorganization energies for nonpolar solvents (0.30 - 0.45 eV) and their large temperature dependence.The inclusion of medium-frequency (hω = 500 cm-1) intramolecular modes in the band-shape analysis is important for the proper distinction between solvent and intramolecular reorganization.
Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)
Fu, Tai Yu,Scheffer, John R.,Trotter, James
, p. 300 - 305 (1997)
Crystal structures have been determined for inclusion complexes of the host molecule 9,10-dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol), with acetone, ethanol and toluene as guest solvent molecules. The host molecule exhibits an intramolecular O - H...O hydrogen bond in each of the complexes, with intermolecular hydrogen bonds to the acetone and ethanol guests. Different photoproducts are obtained from solution and solid-state photolyses; the solid-state reaction involves a relatively small amount of molecular rearrangement, for which a mechanism is proposed.
Aza-triptycene-based homoleptic tris-cyclometalated iridium(III) complexes as highly efficient phosphors in green OLEDs
Jiang, Xin-ying,Liu, Lei,Mei, Qun-bo,Tong, Bi-hai,Yang, Jiu-chang,Ye, Shang-hui,zhang, Lei
, (2022/01/11)
Three homoleptic tris-cyclometalated iridium (III) complexes (Ir1–Ir3) based on a rigid aza-triptycene unit have been synthesized via a novel one-pot method. The coordination arrangement of Ir2 was revealed by single X-ray structural analysis and the mole
Ptycene pyridazine octadentate diplatinum complex phosphorescent material as well as preparation method and application thereof
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Paragraph 0043-0045, (2020/07/14)
The invention discloses a ptycene pyridazine octadentate diplatinum complex phosphorescent material as well as a preparation method and application thereof. The invention relates to a ptycene-modifiedpyridazine octadentate diplatinum complex bridged by oxygen atoms. According to a phosphorescent platinum complex disclosed by the invention, binuclear platinum is introduced into a rigid non-conjugated ptycene ligand, so that the light-emitting center is increased while the light-emitting efficiency reduction caused by a pi-pi accumulation effect is inhibited, and the light-emitting color of theplatinum complex phosphorescent material is adjusted to a great extent. Compared with mononuclear platinum complexes with the same light-emitting color, the obtained ptycene-modified pyridazine diplatinum complex has higher light-emitting efficiency, light-emitting brightness and thermal stability. According to an electroluminescent device provided by the invention, the light-emitting layer is prepared by adopting a spin-coating film preparation method under specific conditions, so that the cost is low, the operation is simple, the chemical property is stable, the light-emitting brightness and efficiency are high, and the realization of an efficient electroluminescent device is facilitated.
Iptycene pyridazine tetradentate platinum complex phosphorescent material, preparation method and application thereof
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Paragraph 0048-0050, (2020/03/16)
The invention discloses an iptycene pyridazine tetradentate platinum complex phosphorescent material, a preparation method and application thereof. The oxygen atom bridged pyridazine tetradentate platinum complex based on iptycene modification has a struc
Synthesis of novel aza-heterocyclic derivatives from diester and diacid chlorides having the dibenzobarrelene skeleton
?apan, ?rfan,Servi, Süleyman
, p. 1164 - 1171 (2018/04/05)
When attempting to synthesize the symmetric aza-heterocyclic-substituted dibenzobarrelene derivatives from the 2-aminobenzimidazole (or 2-aminoimidazoline) with diacid chlorides and diester in the presence of various organic bases, different products were isolated in high yield. NMR spectroscopic analysis proved these products to be dibenzobarrelene-substituted fused benzimidazodiazepine, imidazolinediazepine, and dicarboxamides derivatives. Cyclic or noncyclic dicarboxamides with the dibenzobarrelene skeleton have been synthesized for the first time using these methods.
Ptycene-modified pyridazine iridium complex phosphorescent materials, and its preparation and application
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Paragraph 0043-0045, (2018/04/01)
The invention discloses ptycene-modified pyridazine iridium complex phosphorescent materials, and its preparation and application. According to the invention, ptycene-modified tricyclic metal iridium complexes and dicyclic metal iridium complexes with pyridazine cyclometalated ligand can be prepared by changing preparation conditions and have general structural formulas as shown in a formula (I) and a formula (II), respectively. Since rigid unconjugated ptycene structures wrapping iridium nucleuses are introduced into ligand in preparation of the phosphorescent iridium complexes, the luminous efficiency and color purity of the iridium complex phosphorescent materials are maximally improved. The prepared ptycene-modified tricyclic metal iridium complexes and dicyclic metal iridium complexes with the pyridazine cyclometalated ligand have high internal and external quantum yield, brightness and stability. A luminescent layer in an electroluminescent device provided by the invention is prepared by using a spin-coating film preparation method under specific conditions, and the prepared luminescent layer is simple to prepare, has low cost, stable chemical properties and high brightness and efficiency and is beneficial for preparation of a high-efficiency electroluminescent device.
Anthracene-fused isoxazolopyrrolo[2,1-a]isoquinolines via an endocyclic N-acyliminium ion cyclization: a joint experimental and theoretical study
Ledovskaya, Maria S.,Molchanov, Alexander P.,Kostikov, Rafael R.,Panikorovsky, Taras L.,Gurzhiy, Vladislav V.,Ryazantsev, Mikhail N.,Boitsov, Vitali M.,Stepakov, Alexander V.
supporting information, p. 4827 - 4834 (2016/07/18)
A simple and efficient strategy is reported for the synthesis of anthracene-fused isoxazolopyrrolo[2,1-a]isoquinolines via an endocyclic N-acyliminium ion cyclization. The cyclization of 18-aryl-21-(2-arylethyl)-22-hydroxy-16-oxa-17,21-diazahexacyclo[6.6.
Probing substituent effects in aryl-aryl interactions using stereoselective diels-alder cycloadditions
Wheeler, Steven E.,McNeil, Anne J.,Mueller, Peter,Swager, Timothy M.,Houk
supporting information; experimental part, p. 3304 - 3311 (2010/05/01)
Stereoselective Diels-Alder cycloadditions that probe substituent effects In aryl-aryl sandwich complexes were studied experimentally and theoretically. Computations on model systems demonstrate that the stereoselectivity In these reactions Is mediated by differential π-stacking Interactions In competing transition states. This allows relative stacking free energies of substituted and unsubstituted sandwich complexes to be derived from measured product distributions. In contrast to gas-phase computations, dispersion effects do not appear to play a significant role In the substituent effects, In accord with previous experiments. The experimental π-stacking free energies are shown to correlate well with Hammett σm constants (r= 0.96). These substituent constants primarily provide a measure of the Inductive electrondonating and -withdrawing character of the substituents, not donation into or out of the benzene π-system. The present experimental results are most readily explained using a recently proposed model of substituent effects In the benzene sandwich dimer In which the π-system of the substituted benzene Is relatively unimportant and substituent effects arise from direct through-space interactions. Specifically, these results are the first experiments to clearly show that OMe enhances these π-stacking interactions, despite being a π-electron donor. This Is In conflict with popular models In which substituent effects In aryl-aryl interactions are modulated by polarization of the aryl π-system.
Iptycene-Derived pyridazines and phthalazines
Bouffard, Jean,Eaton, Robert F.,Mueller, Peter,Swager, Timothy M.
, p. 10166 - 10180 (2008/04/12)
(Chemical Equation Presented) The synthesis of new heterocyclic oligo(phenylene) analogues based on soluble, nonaggregating 1,2-diazines is reported. Improved palladium-catalyzed reductive coupling methods were developed to allow for the preparation of la
