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Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl…π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer

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Chinese Chemical Letters 2011年第7期22卷 847-850页

作者： En Ju Wang Guang Ying Chen Hainan Provincial Key Laboratory of Tropical Pharmaceutical Herb Chemistry School of Chemistry & Chemical Engineering Hainan Normal University Haikou 571158 China

The inclusion complex of β-cyclodextrin （β-CD） with 4-chlorobenzoic acid was synthesized and its crystal structure was determined by single crystal X-ray diffraction under cryogenic condition. The complex contains two β-CDs, two 4-chlorobenzoic acids and twenty-nine water molecules in the asymmetric unit, and can be formulated as 2（C42H70O35）·2（CTH5O2Cl）·29（H2O）. In the crystal lattice, two β-CDs form a face-to-face dimer jointed together through hydrogen bonding between the secondary hydroxyl groups of β--CDs. Two 4-chlorobenzoic acid molecules which contact by C-Cl…π interactions are included in the β-CD dimer cavity. The β-CD dimers are arranged in brickwork-like pattern along the crystallographic a-axis. The effect of guest molecule length on the inclusion geometry was discussed by comparative study of some fl-CD complexes containing similar guests.

关键词： β-Cyclodextrin 4-chlorobenzoic acid Inclusion complex Crystal structure C-Cl…π interaction

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Passivation agent with dipole moment for surface modification towards efficient and stable perovskite solar cells

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Journal of Energy Chemistry 2022年第1期31卷 55-61,I0003页

作者： Ge Wang Chen Wang Yajun Gao Shanpeng Wen Roderick C.I.MacKenzie Liuxing Guo Wei Dong Shengping Ruan College of Electronic Science&Engineering Jilin UniversityChangchun 130012JilinChina State Key Laboratory on Integrated Optoelectronics Jilin UniversityChangchun 130012JilinChina State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun 130012JilinChina KAUST Solar Center(KSC) Physical Sciences and Engineering Division(PSE)King Abdullah University of Science and Technology(KAUST)Thuwal 23955-6900Saudi Arabia Faculty of Engineering The University of NottinghamUniversity ParkNottingham NG72RDUnited Kingdom

Recently,there has been renewed interest in interface engineering as a means to further push the performance of perovskite solar cells closer to the Schockly-Queisser ***,for the first time we employ a multi-functional 4-chlorobenzoic acid to produce a self-assembled monolayer on a perovskite *** this interlayer we observe passivation of perovskite surface defects and a significant suppression of non-radiative charge ***,at the surface of the interlayer we observe,charge dipoles which tune the energy level alignment,enabling a larger energetic driving force for hole *** perovskite surface becomes more hydrophilic due to the presence of the ***,we observe an improvement in open-circuit voltage from 1.08 to 1.16 V,a power conversion efficiency improvement from 18%to 21%and an improved stability under ambient *** work highlights the potential of SAMs to engineer the photo-electronic properties and stability of perovskite interfaces to achieve high-performance light harvesting devices.

关键词： 4-chlorobenzoic acid Interface engineering Passivation Surface dipole Perovskite solar cells

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Syntheses and characterizations of two mixed-ligand supramolecular architectures with different structural motifs

Syntheses and characterizations of two mixed-ligand supramol...

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甘肃省化学会第二十八届年会暨第十届中学化学教学经验交流会

作者： Liu Hudong Ma Dongxia Cao Cheng College of Chemistry and Chemical Engineering Hexi University Key Laboratory of Hexi Corridor Resources Utilization of Gansu Universities

Two mixed-ligand 1-D coordination polymer([Zn(4,4’-bipy)(4-cba)2](1) and[Zn(4,4’-bipyX4-cba)](2)) were formed from 4-chlorobenzoic acid(4- cbaH) and 4,4’-bipyridine(4,4’-bipy).Their crystal structures were determined by X-ray diffraction and show the structural motifs are related with the the ratio of 4-cbaH to 4,4’-*** the ratio of 4-cbaH to 4,4’-bipy is 1:2,complex 1 consisting of one dimensional zigzag chains has been successfully *** changing the ratio of 4-cbaH to 4,4’-bipy to 1:3under the similar reaction conditions,complex 2 consisting of one-dimensional line chains has been *** suggesting that the ratio of ligands play a important role in the formation of coordination polymer.

关键词： Coordination polymer 4-chlorobenzoic acid 4,4’-bipyridine crystal structure

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