Article
Chemistry, Physical
Yishan Chen, Lifeng Yao, Fan Wang
Summary: The intermolecular complexes formed by imidazol-2-ylidene and its heavy-atom analogues C2H4N2X: (X = C, Si, Ge, Sn, Pb) and YH3F (Y = Si, Ge, Sn, Pb) were optimized at the MP2/aug-cc-pVTZ level. The binding modes were classified into three types (A, B, and C) based on the locations of YH3F. The interaction strength of the complexes varied with the atomic number of X, with type-B complexes showing the strongest binding.
Article
Chemistry, Multidisciplinary
Julia Volk, Myron Heinz, Michael Leibold, Clemens Bruhn, Tobias Bens, Biprajit Sarkar, Max C. Holthausen, Ulrich Siemeling
Summary: Researchers have synthesized a novel cyclic compound with a 1,1'-ferrocenylene backbone, which exhibits unique structural and chemical properties. The compound's wide bond angle and redox-active backbone open up new possibilities for studying unconventional metalloradicals and oligoradicals.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Hongxia Bu, Xiaobiao Liu, Huimin Yuan, Xiaojuan Yuan, Mingwen Zhao
Summary: Graphene-based XC6-enes with superior properties are designed by first-principles calculations, including biaxial negative Poisson's ratio and high carrier mobility. The stability and feasibility of these materials are verified through various methods, showing great potential for applications in novel electronic and micromechanical devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Engineering, Electrical & Electronic
Chao-hong Wang, Ke-Hsing Chen, Jiun-Yu Tsai
Summary: The effects of minor Ge addition on interfacial reactions of Sn-3.5Ag and Sn-3.5Ag-0.5Cu solders with Co substrate were investigated. Ge addition significantly suppressed the growth of CoSn3 and formed a stable X phase at the interface. The addition of Ge and Cu had a synergistic effect and strongly suppressed the growth of CoSn3. Different results were observed in solid-state reactions compared to liquid-state reactions.
JOURNAL OF ELECTRONIC MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
E. Davydova, G. Balazs, M. Bodensteiner, M. Scheer, A. Y. Timoshkin
Summary: Toluene solvates of MCl(4)middotnI(Dipp) ( n = 1, M = Ge, Sn; n = 2, M = Sn) complexes have been synthesized and structurally characterized. Mass spectrometric studies show that heating and decomposition involve H/Cl exchange and chlorination of IDipp.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Yishan Chen, Lifeng Yao, Fan Wang
Summary: The intermolecular interactions between the heavy-atom analogues of acetylene (T2H2, T = Si, Ge, Sn, Pb) and HCN were investigated using theoretical calculations. It was found that the global energy minimum of T2H2 is the butterfly structure A, and another energy minimum is the planar structure B. Both structures A and B exhibit dual behavior when binding with HCN, forming various hydrogen bond (HB), dihydrogen bond (DB), and tetrel bond (TB) complexes. The geometries and binding strengths of the complexes were compared and analyzed.
JOURNAL OF MOLECULAR MODELING
(2023)
