Article
Chemistry, Multidisciplinary
Deyanira Gejsnaes-Schaad, Marco Meyer, Alessandro Prescimone, Catherine E. Housecroft, Edwin C. Constable
Summary: The synthesis and characterization of six new heteroleptic copper(I) compounds incorporating wide biteangle bisphosphanes combined with bipyridine derivatives are reported. The compounds exhibit yellow or green solid-state luminescence. The crystal structures of the complexes confirm the distorted tetrahedral copper(I) centers and the presence of arene-arene pi-stacking and C C...pi(arne) interactions.
Article
Chemistry, Physical
Alexander A. Korotkevich, Huib J. Bakker
Summary: In this study, the vibrational population relaxation and mutual interaction of carboxylate anion groups of acetate and terephthalate ions in aqueous solution were investigated using femtosecond two-dimensional infrared spectroscopy. The interaction between the symmetric stretch (ν(s)) and antisymmetric stretch (ν(as)) vibrations was found to involve both anharmonic coupling and energy exchange between the excited states of the vibrations. It was observed that both the vibrational population relaxation and energy exchange were faster for terephthalate than for acetate.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Review
Chemistry, Multidisciplinary
Filippo Monti, Andrea Baschieri, Letizia Sambri, Nicola Armaroli
Summary: Iridium(III) complexes play a significant role in photochemistry and photophysics due to their stability and emissive properties. The heavy-atom effect of iridium promotes singlet-triplet transitions, with the complexes exhibiting metal-centered, ligand-centered, or charge transfer properties in the excited state. The design of ligands allows for fine tuning of the electronic properties, making iridium(III) complexes a valuable tool in optoelectronic devices.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Chemistry, Inorganic & Nuclear
Dooyoung Kim, Michael C. Rosko, Vinh Q. Dang, Felix N. Castellano, Thomas S. Teets
Summary: One of the main challenges in developing effective copper(I) photosensitizers is their short excited-state lifetimes. In this study, steric modifications were introduced to improve the excited-state lifetimes of these complexes, and the effects of alkyl groups on the excited-state dynamics were investigated. The results revealed that sterically encumbered complexes exhibited significantly longer excited-state lifetimes compared to the unsubstituted complex.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Alessandro Di Girolamo, Filippo Monti, Andrea Mazzanti, Elia Matteucci, Nicola Armaroli, Letizia Sambri, Andrea Baschieri
Summary: This study successfully synthesized five cationic iridium(III) complexes using phenyl-triazole derivatives, including the less explored tris-heteroleptic analogues. The redox and emission properties of the complexes can be effectively tuned by different ligands. The complexes equipped with bipyridine ancillary ligand exhibit reversible redox processes and high emission quantum yields, while the complexes equipped with high-field isocyanide ligands display irreversible redox processes and high-energy emission with low quantum yields.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
G. George, O. A. Stasyuk, M. Sola, A. J. Stasyuk
Summary: Belt-shaped aromatic compounds are among the most attractive classes of radial pi-conjugated nanocarbon molecules. We propose rules for their design with improved electron-donating properties.
Article
Chemistry, Inorganic & Nuclear
Emiliano Martinez-Vollbert, Charles Ciambrone, William Lafargue-Dit-Hauret, Camille Latouche, Frederique Loiseau, Pierre-Henri Lanoe
Summary: In this study, a new family of cationic iridium(III) complexes with modified emission properties and photoluminescence quantum yield were investigated by introducing different substituents. A switch of the lowest triplet excited state was observed. The experimental and theoretical results showed good agreement, demonstrating the potential of these complexes as emitting materials.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Ahmed M. M. Alazaly, Guy J. Clarkson, Michael D. Ward, Ayman A. Abdel-Shafi
Summary: In this study, the synthesis and characterization of heteroleptic Cr(III) complexes were reported, and their spectral and fluorescence properties in different solutions were studied. The fluorescence quantum yields, excited state energy, and interaction with oxygen showed variations among these complexes.
INORGANIC CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Reziwanguli Yantake, Muyasier Kaiheriman, Taximaiti Yusufu, Aierken Sidike
Summary: A new green-emitting phosphor was prepared via a high-temperature solid-phase method, showing improved luminescence intensity and color purity. The silicate phosphor demonstrated good color stability and thermal stability in air.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Inorganic & Nuclear
Robert M. Edkins, Yu-Ting Hsu, Mark A. Fox, Dmitry Yufit, Andrew Beeby, Ross J. Davidson
Summary: The synthesis and comparison of Bis-heteroleptic and tris-heteroleptic iridium complexes were studied. Diversified intermediate complexes with different emission and redox properties were successfully synthesized using a chemistry-on-the-complex approach. This convenient synthetic method simplifies the access to Ir(L-a)(L-b)(acac) complexes with varying properties.
Article
Chemistry, Applied
Zhao Jiang, Qing Zhang, Zhaoyu Kong, Ruijie Qiao, Zichuan Liu, Linzhou Song, Senqiang Zhu, Rui Liu, Hongjun Zhu
Summary: Three heteroleptic Ir(III) complexes with different electron-donating aryl groups were synthesized and their optical properties were investigated. It was found that all three complexes exhibited aggregation-induced phosphorescence emission (AIPE) behaviors, and the relationship between the size of organic ligands and AIPE behaviors was characterized. Ir-PhCz showed the best imaging of latent fingerprints due to its green light emission and high quantum yield.
Article
Chemistry, Inorganic & Nuclear
Vadim Adamovich, Llorenc Benavent, Pierre-Luc T. Boudreault, Miguel A. . Esteruelas, Ana M. Lopez, Enrique Onate, Jui-Yi Tsai
Summary: The organic molecule H3L was used to synthesize the Ir(III) derivative Ir(kappa 6-fac-C,C ',C ''-fac-N,N ',N ''-L). This compound was formed through coordination and CH bond activation. Reactions were carried out using different starting materials, and different solvents affected the coordination of H3L. The resulting Ir(kappa 6-fac-C,C ',C ''-fac-N,N ',N ''-L) complex showed phosphorescent emission and was utilized in the fabrication of yellow emitting devices with specific properties.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Zeki Kartal, Onur Sahin
Summary: In this study, three new transition metal complexes featuring zinc(II), mercury(II) atoms, cyanide group (CN), 3-aminopyridine (3AP) and 4-aminopyridine (4AP) ligand molecules were successfully synthesized. The crystal structures of these heteroleptic cyanometalate complexes were characterized using spectral analysis including single crystal X-ray diffraction techniques, FT-IR, and thermal analysis. The presence of N-H N interactions between the ligand molecules and the CN group plays a crucial role in determining the three-dimensional structure of these complexes.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Stephen DiLuzio, Velabo Mdluli, Timothy U. Connell, Jacqueline Lewis, Victoria VanBenschoten, Stefan Bernhard
Summary: A large number of heteroleptic complexes were synthesized through high-throughput methods, and their emission spectra and excited state lifetimes were measured, revealing various luminescent properties and excited state characteristics, as well as the significant impact of nuclear reorganization on emission energy and lifetimes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Energy & Fuels
Benedikt Bagemihl, Andrea Pannwitz, Sven Rau
Summary: Donor-photosensitizer-acceptor triads with 1,4-dihydro-N-benzyl-nicotinamide (BNAH) as the donor and N-methyl-4,4'-bipyridinium (MQ(+)) as the acceptor were synthesized by covalently functionalizing tris-heteroleptic ruthenium(II) complexes using copper-catalyzed click chemistry. The light-induced intramolecular electron transfer and long-lived charge-separated states of these triads were characterized using spectroscopy and electrochemistry. It was observed that the charge-separated state resides on different parts of the molecule within these two triads, allowing for selective directionality of charge transfer within a molecule.
Article
Chemistry, Physical
So-Yoen Kim, Yang-Jin Cho, Ho-Jin Son, Dae Won Cho, Sang Ook Kang
JOURNAL OF PHYSICAL CHEMISTRY A
(2018)
Article
Chemistry, Physical
Bo Zhuang, Mamoru Fujitsuka, Sachiko Tojo, Dae Won Cho, Jungkweon Choi, Tetsuro Majima
JOURNAL OF PHYSICAL CHEMISTRY A
(2018)
Article
Chemistry, Multidisciplinary
Yang-Jin Cho, So-Yoen Kim, Jie-Won Lee, Won-Sik Han, Chul Hoon Kim, Ho-Jin Son, Sang Ook Kang
CHEMISTRY-A EUROPEAN JOURNAL
(2019)
Article
Chemistry, Multidisciplinary
Yujin Park, Jungkweon Choi, Changhwan Lee, An-Na Cho, Dae Won Cho, Nam-Gyu Park, Hyotcherl Ihee, Jeong Young Park
Article
Chemistry, Inorganic & Nuclear
Jin-Hyoung Kim, So-Yoen Kim, Seol Jang, Seungjun Yi, Dae Won Cho, Ho-Jin Son, Sang Ook Kang
INORGANIC CHEMISTRY
(2019)
Article
Chemistry, Physical
Jungkweon Choi, Doo-Sik Ahn, Sol-Yi Gal, Dae Won Cho, Cheolhee Yang, Kyung-Ryang Wee, Hyotcherl Ihee
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Multidisciplinary
Ju Hyoung Jo, Sunghan Choi, Ha-Yeon Cheong, Jae Yoon Shin, Chul Hoon Kim, Dae Won Cho, Ho-Jin Son, Chyongjin Pac, Sang Ook Kang
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Jungkweon Choi, Mina Ahn, Kyung-Ryang Wee, Dae Won Cho
Summary: The study revealed that Piroxicam exhibits a large Stokes-shift emission due to excited-state intramolecular proton transfer, while the Cu-coordinated Piroxicam complex does not show any emission and decays rapidly, indicating a rapid transition process due to the heavy atom effect.
BULLETIN OF THE KOREAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Jungkweon Choi, Siin Kim, Mina Ahn, Jungmin Kim, Dae Won Cho, Doyeong Kim, Seunghwan Eom, Donghwan Im, Yujeong Kim, Sun Hee Kim, Kyung-Ryang Wee, Hyotcherl Ihee
Summary: This study investigates the effect of the molecular configuration of two covalently linked dimers on singlet fission dynamics using steady-state and time-resolved spectroscopies. The results demonstrate the significant role of molecular configuration in the singlet fission process.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
So-Yoen Kim, Jeong-Wan Yu, Sunghan Choi, Dae Won Cho, Chul Hoon Kim, Ho-Jin Son, Sang Ook Kang
Summary: The excited-state properties of metal-organic bichromophores were investigated by incorporating naphthalene and carbazole units into phenylimidazole ligand, and it was found that efficient phosphorescent emission of geometrically confined organic tethers was achieved through intramolecular energy transfer in the excited state.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Daehoon Kim, Mina Ahn, Kyung-Ryang Wee, Dae Won Cho
Summary: A series of iridium complexes with different ancillary ligands were synthesized to study their photophysical properties. Experimental results showed that the ancillary ligands play a significant role in influencing the emission changes, including energy transfer and emission intensity variations. Through theoretical calculations and experimental observations, it was found that the interligand energy transfer occurs exothermically and leads to changes in emission properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Siin Kim, Jungkweon Choi, Dae Won Cho, Mina Ahn, Seunghwan Eom, Jungmin Kim, Kyung-Ryang Wee, Hyotcherl Ihee
Summary: This study synthesized a series of cyclometalated Ir complexes and investigated their photoinduced proton-coupled electron transfer (PCET) processes in different solvent environments using experimental and computational methods. The results showed that the solvent modulates the PCET reaction, and it was found that in aprotic solvents, charge transfer occurs after proton transfer, while in protic solvents, the temporal order of charge transfer and proton transfer is reversed.
Article
Chemistry, Inorganic & Nuclear
Jungkweon Choi, Mina Ahn, Jae Hyuk Lee, Doo-Sik Ahn, Hosung Ki, Inhwan Oh, Chi Woo Ahn, Eun Hyuk Choi, Yunbeom Lee, Seonggon Lee, Jungmin Kim, Dae Won Cho, Kyung-Ryang Wee, Hyotcherl Ihee
Summary: The study found that heteroleptic metal complexes exhibit more complex excited state relaxation dynamics, which are attributed to their heteroleptic nature. The fast dynamics may originate from energy transfer between two different types of ligands, while the rapid internal conversion process is likely due to a large nonadiabatic coupling and a small energy gap between the two states.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Physical
Jin-Hyoung Kim, So-Yoen Kim, Dae Won Cho, Ho-Jin Son, Sang Ook Kang
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Bo-Sun Yun, Jin-Hyoung Kim, So-Yoen Kim, Ho-Jin Son, Dae Won Cho, Sang Ook Kang
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)