Article
Chemistry, Physical
Qunfei Zhou, Zhen-Fei Liu, Tobin J. Marks, Pierre Darancet
Summary: In this study, the electronic structure and optical properties of metal phthalocyanines were accurately calculated using the OT-RSH method, with tunability of molecular orbital energies observed through fluorination. The results provide a new computational benchmark for gas-phase phthalocyanines.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Kevan Perez de Carvasal, Nesrine Aissaoui, Gerard Vergoten, Gaetan Bellot, Jean-Jacques Vasseur, Michael Smietana, Francois Morvan
Summary: Inspired by the automated synthesis of DNA on a solid support, amphiphilic foldamers were synthesized from DAN and NDI building blocks, forming regular supramolecular nanotubes in water through donor/acceptor interactions and the solvophobic effect.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Cedric Uhlmann, Thomas J. Feuerstein, Tim P. Seifert, Andre P. Jung, Michael T. Gamer, Ralf Koeppe, Sergei Lebedkin, Manfred M. Kappes, Peter W. Roesky
Summary: The versatile metalloligand was converted into early-late heterotetrametallic complexes, which showed photoluminescence with either remarkably different or similar features compared to related solely coinage metal containing acetylide amidinate complexes.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Marco Giordano, Giorgio Volpi, Matteo Bonomo, Paolo Mariani, Claudio Garino, Guido Viscardi
Summary: Three aromatic diimine ligands and their corresponding homoleptic copper(I) and copper(II) complexes were synthesized and characterized in this study. The nature of the ligand significantly influenced the photophysical and electrochemical properties of the complexes, and the coordination geometry of the complexes was affected by substituting pendant methyl groups with methoxy. The ligand was found to play a crucial role in the performance of the devices, with methoxy-substituted derivatives exhibiting unexpectedly high open circuit voltage after severe ligand exchange with tert-butylpyridine.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Yoichi Sasaki, Nobuhiro Yanai, Nobuo Kimizuka
Summary: The relationship between the spin-density contribution of heavy metals and the net triplet excited-state lifetimes for Os(II) and Ru(II) complexes modified with perylene units was investigated. It was found that the lifetimes of perylenyl group-localized excited states are shortened by the heavy-atom effect, which can be largely circumvented by introducing meta-phenylene bridges.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Maria D. Ciuca, Radu C. Racovita
Summary: This article describes two visible spectrophotometric techniques that utilize the formation of charge transfer complexes for the quantitative assessment of four commonly used antidepressant compounds.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Inorganic & Nuclear
Qiang Liu, Nian-Tao Yao, Hui-Ying Sun, Ji-Xiang Hu, Yin-Shan Meng, Tao Liu
Summary: In this study, cyanide-bridged coordination polymers were synthesized and their thermally induced metal-to-metal electron transfer and dielectric properties were investigated. The low-temperature phase can be transformed into the high-temperature phase through light-driven electron transfer. One of the compounds exhibited synergistic switching of dielectric and magnetic properties.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Micheal M. Alowakennu, Atanu Ghosh, James K. Mccusker
Summary: This study provides direct evidence of the highly oxidizing nature of the lowest-energy ligand-field excited state of a first-row d(6)-low-spin Co(III) photosensitizer. The redox potential associated with the excited state was determined through quenching studies and time-resolved absorption spectroscopy. The results indicate that this class of chromophores has stronger excited-state properties compared to commonly used transition metal-based photoredox agents, making them suitable for activating oxidatively resistant organic substrates in photoredox catalysis.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Madeleine J. Fort, Sophia M. Click, Evan H. Robinson, Felix M. C. He, Paul Bernhardt, Sandra J. Rosenthal, Janet E. Macdonald
Summary: Light-induced charge separation plays a crucial role in solar harvesting technologies, and the internal reorganization energy has a profound impact on charge transfer rates. Experimental and theoretical studies demonstrate that reducing the reorganization energy can greatly increase charge transfer rates, even more significantly than the driving force. This suggests that careful design of redox mediators to minimize reorganization energy is a promising approach to enhance the efficiency of quantum dot applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Emrah Ozcan, Valentyna Kuznetsova, Gurkan Kesan, Marcel Fuciman, Radek Litvin, Tomas Polivka
Summary: Carotenoids are natural compounds that play multiple roles in biological systems. The interaction of carotenoid astaxanthin with Zn2+ and Cu2+ ions results in significant changes in excited-state dynamics, leading to enhanced charge transfer characteristics and shortened lifetimes.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Majid Alhomrani, Walaa F. Alsanie, Abdulhakeem S. Alamri, Hussain Alyami, Hamza Habeeballah, Heba A. Alkhatabi, Raed Felimban, John M. Haynes, Sonam Shakya, Bassem M. Raafat, Moamen S. Refat, Ahmed Gaber
Summary: This study assessed the interactions between risperidone and traditional receptors and used the findings to improve the therapeutic properties of a pharmaceutical formulation. Molecular docking calculations and molecular dynamics simulations revealed that the complex of risperidone and serotonin had the highest binding energy and stability.
Article
Chemistry, Applied
Joanna Palion-Gazda, Barbara Machura, Agata Szlapa-Kula, Anna M. M. Maron, Jacek E. Nycz, Przemyslaw Ledwon, Ewa Schab-Balcerzak, Mariola Siwy, Justyna Grzelak, Sebastian Mackowski
Summary: New rhenium(I) tricarbonyl complexes based on the phenanthroline ligand were designed and synthesized to investigate the role of carbazole and pyrrolidine substituents in determining thermal, electrochemical, and optoelectronic properties. The impact of pyrrolidine and carbazole on the ground and excited-state properties of the complexes were investigated, and the results were supported by theoretical calculations. The HOMO and LUMO energy levels were affected by the substituents, and the structural modification also resulted in noticeable changes in the electrochemical and photophysical behavior of the complexes.
Article
Chemistry, Inorganic & Nuclear
Xiangyu Meng, Jian Yu, Jingjing Wu, Yuening Wang, Xiaoyu Song, Ziyan Xu, Anran Li, Lin Qiu, Jie Lin, Xiaotian Wang
Summary: Ag-loaded iron hydroxide (Ag/Fe(OH)(3)) was designed as an excellent surface-enhanced Raman scattering (SERS) substrate for trace detection of carcinogenic aromatic amine p-aminoazobenzene (PAAB). The Ag/Fe(OH)(3) exhibits prominent adjustability of properties, including localized surface plasmon resonance (LSPR) and energy band structure, achieving an enhancement factor (EF) of 1.23 x 10(6) for 4-ATP molecules through the synergistic interaction of LSPR and photo-induced charge transfer (PICT). Importantly, Ag/Fe(OH)(3) has an ultra-low detection limit for PAAB (10(-9) M), which is of great significance for trace detection of carcinogenic aromatic amines.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Lei Xu, Yi-Ming Wang, Zi-Heng Feng, Yin Qian, Yan Gao, Zheng-Fang Tian, Xiao-Ming Ren
Summary: A thermochromic or mechanochromic material that can switch between stable states in response to temperature or pressure changes was investigated in this study. The material was found to form a uniform mixed stack through alternating stacking of its cations and anions, and a molecular solid through Coulomb and van der Waals interactions. The material exhibited reversible thermochromism, irreversible mechanochromism, intense near-IR absorbance, and a dielectric anomaly, all of which were attributed to the structural phase transition and alteration of p-orbital overlap between the anion and cation within the mixed stack.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Christopher B. Larsen
Summary: The study explored the solvent-dependent photoluminescence quenching mechanism of [Ru(bpy)(2)(bpy-cc-AQ)](2+), revealing significant impacts of solvent polarity on its photophysics. In high polarity solvents, competition between factors favoring charge-separated state and photoluminescent (MLCT)-M-3 state results in an unusual temperature dependence of photoluminescence.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Ji-Sue Moon, Jue-Hyuk Jang, Eung-Gun Kim, Young-Hoon Chung, Sung Jong Yoo, Yong-Kul Lee
JOURNAL OF CATALYSIS
(2015)
Article
Chemistry, Physical
Bora Joo, Eung-Gun Kim
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2016)
Article
Materials Science, Multidisciplinary
Bora Joo, Eung-Gun Kim
Article
Chemistry, Physical
Hee-Jun Park, Si Hyun Han, Jun Yeob Lee, Herim Han, Eung-Gun Kim
CHEMISTRY OF MATERIALS
(2018)
Article
Chemistry, Physical
Bora Joo, Herim Han, Eung-Gun Kim
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
Article
Chemistry, Physical
Lingyun Zhu, Eung-Gun Kim, Yuanping Yi, Jean-Luc Bredas
CHEMISTRY OF MATERIALS
(2011)
Article
Chemistry, Multidisciplinary
Theodoros A. Papadopoulos, Hong Li, Eung-Gun Kim, Jie Liu, James A. Cella, Christian M. Heller, Andrew Shu, Antoine Kahn, Anil Duggal, Jean-Luc Bredas
ISRAEL JOURNAL OF CHEMISTRY
(2014)
Article
Chemistry, Physical
Ji-Sue Moon, Eung-Gun Kim, Yong-Kul Lee
JOURNAL OF CATALYSIS
(2014)
Article
Chemistry, Organic
Yulia A. Getmanenko, Chad Risko, Paul Tongwa, Eung-Gun Kim, Hong Li, Bhupinder Sandhu, Tatiana Timofeeva, Jean-Luc Bredas, Seth R. Marder
JOURNAL OF ORGANIC CHEMISTRY
(2011)
Article
Chemistry, Multidisciplinary
Lingyun Zhu, Yuanping Yi, Yuan Li, Eung-Gun Kim, Veaceslav Coropceanu, Jean-Luc Bredas
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2012)
Article
Materials Science, Multidisciplinary
Eung-Gun Kim, Jean-Luc Bredas
ORGANIC ELECTRONICS
(2013)
Article
Materials Science, Multidisciplinary
Eung-Gun Kim
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)