13731-82-3Relevant academic research and scientific papers
Unfolding ESIPT in Bis-2,5-(2-benzoxazolyl) Hydroquinone and 2,5-Bis(benzo[d]oxazol-2-yl)-4-methoxyphenol: a Comprehensive Computational Approach
Jadhav, Manoj M.,Rhyman, Lydia,Ramasami, Ponnadurai,Sekar, Nagaiyan
, p. 1295 - 1307 (2016)
The photo-physical behaviour of bis-2,5-(2-benzoxazolyl) hydroquinone and 2,5-bis (benzo[d]oxazol-2-yl)-4-methoxyphenol was studied using the Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). All the possible rotamers were optimized to obtain global minimum optimized structure. The theoretical absorption and emission values of rotamers estimated by using TD-DFT [TD-B3LYP/6–31G(d)] are in good agreement with experimental absorption and emission wavelengths. Based on the absorption values, the contribution of respective rotamer is determined theoretically.
TD-DFT Investigation of 2,5-Bis(2-benzothiazolyl)hydroquinone and 2,5-Bis(benzo[d]thiazol-2-yl)-4-methoxyphenol
Jadhav, Manoj M.,Alswaidan, Ibrahim A.,Rhyman, Lydia,Ramasami, Ponnadurai,Sekar, Nagaiyan
, p. 1005 - 1023 (2017)
Density functional theory (DFT) and time dependent density functional theory (TD-DFT) calculations of two excited state intramolecular proton transfer (ESIPT) molecules [2,5-bis(2-benzothiazolyl)hydroquinone and 2,5-bis(benzo[d]thiazol-2-yl)-4-methoxyphenol] were performed to study their structural and photo-physical behavior upon excitation. The most stable structure was established by optimizing all possible rotamers. The vertical excitation and emission wavelengths obtained by using TD-DFT show very good correlation with the experimental values. A correlation has been established based on the absorption values to determine the contribution of stable rotamers.
A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: Combining a "bridge" and "pillar" in one ligand
Al-Fayaad, Hydar A.,Athukorala Arachchige, Kasun S.,Clegg, Jack K.
, p. 5310 - 5315 (2020)
Two of the most successful strategies for the preparation of three-dimensional coordination polymers and MOFs are reticular synthesis and pillaring. Here we present a new approach which combines aspects of both of these by employing a heterofunctional dicarboxylic and dipyridyl ligand, 2,5-di(pyridin-4-yl)terephthalic acid (H2L). The reaction of H2L with zinc(ii) produces a non-interpenetrated 3D coordination polymer [ZnL(H2O)]n. This journal is
Tuning J-aggregate Formation and Emission Efficiency in Cationic Diazapentacenium Dyes
Rodrigues, Ana Clara B.,Wetterling, Dario,Scherf, Ullrich,Seixas de Melo, J. Sérgio
, p. 7826 - 7830 (2021/05/07)
Enhancement of the luminescence efficiency of two new diazapentacenium salts (D1 and D2) of more than 55 for D1 and 22 times for D2) in poor solvents, acetonitrile and/or dichloromethane, was observed and rationalized as formation of emissive J-aggregates. Both compounds displaying 4-n-decylphenyl substituents at the 7,14-carbons and phenyl (D1) or 2,6-difluorophenyl (D2) substituents at the quaternary nitrogen atoms in 5,12-positions have been synthetized in a two-step procedure involving a two-fold Buchwald-Hartwig-type CN cross-coupling and an electrophilic Friedel-Crafts-type cyclization. The optical properties of the dicationic diazapentacenium salts in various solvents and in thin films have been investigated by steady-state and time-resolved absorption and photoluminescence spectroscopies. In thin films and in good solvents, isolated molecules coexist with aggregates. Nonetheless, D1 is seven times more emissive than D2, reflecting a higher J-aggregate contribution in the former.
PREPARING METHOD OF SYNTHESIZING INDACENO DITHIENOTHIOPHENE COMPOUND
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Paragraph 0097; 0101-0102, (2019/12/25)
Provided is a manufacturing method of synthesizing an indaseno-dithienothiophene compound using, as a novel starting material, a bis(thieno[3,2-b] thiophen-2-yl)-bismethanone derivative. The manufacturing method of synthesizing the indaseno-dithienothiophene compound has an excellent synthetic yield and improves production efficiency.COPYRIGHT KIPO 2020
Pd-tBuONO Cocatalyzed Aerobic Indole Synthesis
Ning, Xiao-Shan,Liang, Xin,Hu, Kang-Fei,Yao, Chuan-Zhi,Qu, Jian-Ping,Kang, Yan-Biao
supporting information, p. 1590 - 1594 (2018/04/30)
A Pd-tBuONO co-catalyzed scalable and practical synthesis of indoles with molecular oxygen as terminal oxidant is developed. Either terminal or internal 2-vinylanilines could be smoothly converted to desired indoles under one general condition. This method has been evaluated in the large scale synthesis of indomethacin and a potential anti-breast cancer drug candidate 1. (Figure presented.).
Substituent effect on redox potential of terephthalate-based electrode materials for lithium batteries
Lakraychi,Dolhem,Djeda?ni-Pilard,Becuwe
, p. 71 - 75 (2018/07/03)
The substituent effect on the redox potential of lithium terephthalate was studied using symmetrical dilithium disubstituted-terephthalates incorporating bromo, methoxy and amino groups. All the terephthalate derivatives have been synthesized and evaluated as anode material for lithium-ion batteries. The electrochemical results revealed an increase in the reduction potential in the case of bromo and methoxy groups and almost the same in the case of amino group compared to unmodified dilithium terephthalate. In addition, a very first tendency between the 13C chemical shifts and FTIR signal of the carbonyl and the reduction potential of the studied disubstituted-terephthalates was formulated.
A Series of Lanthanide Coordination Polymers Based on Designed Bifunctional 1,4-Bis(imidazol-1-yl)terephthalic Acid Ligand: Structural Diversities, Luminescence, and Magnetic Properties
Zhang, Xiu-Tang,Fan, Li-Ming,Fan, Wei-Liu,Li, Bin,Liu, Guang-Zeng,Liu, Xin-Zheng,Zhao, Xian
, p. 3993 - 4004 (2016/07/16)
On the basis of the designed bifunctional 1,4-bis(imidazol-1-yl)terephthalic acid (H2BTA) ligand, a series of three-dimensional lanthanide coordination polymers, namely, [La2(BTA)1.5(ox)1.5(H2O)3]n (1), [Nd(BTA)(ox)0.5(H2O)]n (2), {[Ln(HBTA)(ox)(H2O)]·xH2O}n (Ln = Pr for 3 (x = 0), Sm for 4 (x = 0), Dy for 5 (x = 1.5), and Eu for 6 (x = 1)), and [Ln(BTA)(SO4)0.5(H2O)]n (Ln = Eu for 7, and Tb for 8) were obtained with the help of oxalate or sulfate ions. On the basis of the binuclear La2 secondary building unit (SBUs), the framework of 1 displays an unprecedented (3,3,4,9)-connected net with the point symbol of (411.55.614.75.8)2(42.5)2(43)2(44.62). While in complex 2, the binuclear Nd2 SBUs are connected by the BTA2- ligands to generate an interestingly (4,10)-connected (412.516.612.75)(46)2 net. Complexes 3-6 are isomorphism and show a 2-fold interpenetrated 4-connected (66)-dia net. Complexes 7 and 8 are isomorphism and show a novel (4,5)-connected (44.62)(44.66) net. Photoluminescence investigations show that 2 is a good near-infrared luminescent material, and 4 is a rarely reported single component white light emitting material. Complexes 6 and 7 show typically red emission, while complex 8 shows typically green emission, which can be used as a red or green emitting phosphor. Moreover, the luminescent lifetimes and quantum yields of the titled complexes were investigated. The magnetic susceptibility data of 2 indicated there are antiferromagnetic interactions between the NdIII ions.
Synthesis of dilactone bridged terphenyls with crankshaft architectures
Dressler, Justin J.,Miller, Sarah A.,Meeuwsen, Brian T.,Riel, Asia Marie S.,Dahl, Bart J.
, p. 283 - 292 (2015/02/02)
Three highly fluorescent dilactone bridged terphenyls with crankshaft architectures have been synthesized. This general class of compounds is relatively unexplored. These compounds have been characterized by fluorescence and UV-vis spectroscopy. For all three compounds, a direct correlation between the rigidity of the terphenyl system and the strength of absorption and emission of light has been observed. Preliminary studies have indicated that compounds with this architecture have the potential to be useful as pH-driven molecular switches and/or sensors with instant fluorescence attenuation at high pH values.
Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains
Xue, Pengchong,Sun, Jiabao,Chen, Peng,Gong, Peng,Yao, Boqi,Zhang, Zhenqi,Qian, Chong,Lu, Ran
, p. 4086 - 4092 (2015/04/27)
Three 2,5-dialkylcarbazole-substituted terephthalate derivatives, in which carbazole and ethoxylcarbonyl groups are used as electron-donating and -accepting moieties, respectively, were synthesized. Owing to the presence of steric hindrance between ethoxylcarbonyl and carbazole groups, three compounds show intense blue fluorescence in both solution and the solid state. The fluorescence quantum yields of compounds with octyl and hexadecyl groups in the solid state exceed 95%. Single-crystal structures of three compounds were obtained and used to interpret the strong emission in the solid state. More interestingly, three compounds exhibited alkyl length-dependent mechanofluorochromism. The compound with ethyl groups exhibited the largest spectral shift under force stimuli, but that with a hexadecyl moiety did not change its emission color after grinding. Because of strong fluorescence in solution and the solid state, we believe that they can be used as luminescent materials and sensors. This journal is
