Article
Chemistry, Inorganic & Nuclear
Yuan-Chun He, Xin-Hong Li, Yu-Miao Ruan, Qian Xu, Shu-Xian Li, Hui-Xin Mao, Fang-Hua Zhao, Meng -Ting Li
Summary: In this study, five Ag(I)-based coordination polymers were successfully synthesized under hydrothermal conditions. The structures and luminescent properties of these polymers were characterized, demonstrating their diverse structures and tunable luminescent colors.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Carmen Ceamanos, Raquel P. Herrera, M. Concepcion Gimeno
Summary: We report the synthesis and characterization of five novel silver complexes containing the phosphine telluride ligand. Spectroscopic studies uncover their redox properties and reveal rapid interchange equilibrium, showcasing distinctive Ag2Te2 cores and a combination of bridging and terminal TeP(iPr)(3) ligands.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Yasoumi Yamazaki, Yuknori Ueshima, Yoji Mizumote, Yuri Ishikawa, Riku Maruyama, Yuki Yoshino, Yuki Sofie, Taro Tsubomura
Summary: We synthesized a new type of asymmetric binuclear Ag(I) complex, which showed relatively strong green luminescence in the solid state.
Article
Chemistry, Physical
Resit Cemaloglu, Ipek Berberoglu, Nuran Asmafiliz, Zeynel Kilic, Tuncer Hokelek
Summary: In this study, a series of heterocyclic phosphazene compounds were synthesized by reacting different diamines with hexachlorocyclotriphosphazene, and their spatial configurations and chiral properties were further investigated. The experimental results showed that these compounds exhibit different spatial centrosymmetricity and chiral configurations.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Liam Mistry, Osama El-Zubir, Thomas Pope, Paul G. Waddell, Nicholas Wright, Werner A. Hofer, Benjamin R. Horrocks, Andrew Houlton
Summary: The study demonstrates that changing the solvent can modulate the intermetallic distance of the silver ion chains in a coordination polymer without affecting its electrical conductivity. Furthermore, ultrasonication can retain these silver ion chains and form well-defined nanosheets.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Inorganic & Nuclear
Yurii Slyvka, Andrii A. Fedorchuk, Evgeny Goreshnik, Nazariy Pokhodylo, Jaroslaw Jedryka, Katarzyna Ozga, Marian Mys'kiv
Summary: This study focused on the synthesis, structural characterization, and investigation of the nonlinear optical properties of a novel copper(I) nitrate coordination compound based on Anor. The experimental results confirmed a much higher efficiency in second-harmonic generation for compound 1 compared to the Anor ligand molecule, as determined through calculations and experiments.
Article
Chemistry, Physical
Su-Hwan Go, Dae-Su Kim, Jae-Min Eum, Ho-Sung Shin, Seok-June Chae, Sun-Woo Kim, Eun-Ji Kim, Jong-Un Woo, Sahn Nahm
Summary: Fe2O3-containing 0.96(K0.5Na0.5)(Nb0.93Sb0.07)-(0.04-x)CaZrO3-x(Bi, Ag)ZrO3 piezoceramics fabricated at 1090 degrees C in the range of 0.0 <= x <= 0.04 exhibit an ideal R-O-T multi-structure and nanodomains, leading to an extremely high piezoelectric constant of 680 +/- 10 pC/N.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Inorganic & Nuclear
Rong-Feng Li, Jun-Xia Zhu, Wei-Dong Jia, Ding-Jie Lu, Chao Huang, Bi-Xue Zhu
Summary: Two helical pyridylamide ligands and their corresponding metal complexes were designed, synthesized, and structurally characterized. The study revealed the influence of the reaction ratio between the ligands and metal ions on the coordination configuration and chiral self-assembly process.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Khodayar Gholivand, Mohammad Faraghi, Samaneh K. Tizhoush, Sara Ahmadi, Mostafa Yousefian, Fahimeh Mohammadpanah, S. Mark Roe
Summary: Two new Ag(i) complexes were synthesized and fully characterized. One of the complexes showed stronger antibacterial and anticancer activity. The crystal structure and intermolecular interactions of the complexes were studied, and the mechanism of cell death induced by the complexes was evaluated through apoptosis and other experiments.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Physical
Qibo Wang, Tianhua Wang, Kai Xu, Jinghui Li, Lifeng Cao, Degao Zhong, Bing Teng, Jie Tang
Summary: A novel ionic organic nonlinear optical crystal DOBT was synthesized and grown, and its composition, structure, and optical properties were characterized. The results showed that DOBT crystal has excellent photoelectric properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Ahlam Roufieda Guerroudj, Nourdine Boukabcha, Abdelmadjid Benmohammed, Necmi Dege, Nour El Houda Belkafouf, Nawel Khelloul, Ayada Djafri, Abdelkader Chouaih
Summary: This study compared theoretical and experimental results of NBCA, analyzing its molecular structure, vibration frequencies, UV-Vis, NMR chemical shift values, non-linear optical parameters, electronic transitions, global chemical reactivity descriptors, and more. Additionally, the biological activity of NBCA was investigated through substance activity spectra prediction and molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Rumyana Yankova, Ivaylo Tankov, Tanya Tsaneva
Summary: The crystal structure, intermolecular interactions, and nonlinear optical behavior of the ionic liquid Imidazolium Hydrogen Sulfate (ImHS) were investigated for the first time. The combination of experimental (X-ray diffraction) and theoretical (quantum chemical calculations) methods provided important insights into the nonlinear optical properties of ImHS. The formation of hydrogen bonds between the imidazolium cation and hydrogen sulfate anion was found to stabilize the ImHS structure, leading to its highly polarizable nature and making it a promising candidate for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Jie Wang, Long-Jiang Yu, Wenda Wang, Qiujing Yan, Tingyun Kuang, Xiaochun Qin, Jian-Ren Shen
Summary: Photosystem I (PSI), a crucial component in photosynthesis, has been structurally analyzed in complex with light-harvesting complex I (LHCI) to reveal the arrangement of proteins, cofactors, and newly identified lipid molecules. The research sheds light on the mechanisms of light-energy harvesting, transfer, and supercomplex assembly.
JOURNAL OF INTEGRATIVE PLANT BIOLOGY
(2021)
Article
Chemistry, Physical
Kai Xu, Rui Chen, Tianhua Wang, Lijie Sun, Qibo Wang, Jinkang Ma, Degao Zhong, Lifeng Cao, Bing Teng
Summary: This study reports the recent advances in the design, synthesis, and characterization of organic nonlinear optical (NLO) crystals of 2-(3,4-Dimethoxystyryl)-3-methylbenzothiazolium-benzenesulfonate (DOBS). Results showed that the crystal belongs to the triclinic system, with the space group P1. The second harmonic generation efficiency of DOBS was found to be 1.8 times higher than the standard KDP. Density functional theory (DFT) calculations revealed a maximum first-order hyperpolarizability of DOBS molecule to be 107.7 x 10-30 esu. Analysis of molecular surface electrostatic potential, HOMO-LUMO orbital, ELF/LOL, Hole-electron, Hirshfeld surface, and 2-D fingerprint were performed. Thermal stability analysis indicated that DOBS crystal has a high melting point of 251 degrees C. Furthermore, UV-Vis-NIR spectra, dielectric properties, and fluorescence were investigated.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Martin Lutz
Summary: We provide critical comments on Ivanova & Spiteller's (2022) depiction of the crystal structure of an enantiopure chiral zinc complex, as they erroneously assigned it to a centrosymmetric space group with the metal on an inversion center. The subsequent discussions on thermal motion, octahedral distortion, and charge density in their article are highly flawed.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
