Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study
نویسندگان
چکیده
The tendency to reach dynamic equilibrium of intercluster reaction, Ag7(H) and Cu7(H), in solution is driven by a stepwise, one-metal exchange process, which has been illustrated 2D EXSY NMR experiments.
منابع مشابه
Structure, bonding, and reactivity of Ti and Zr amidate complexes: DFT and X-ray crystallographic studies.
Easily prepared and highly modular organic amide proligands have been used to synthesize a series of new bis(amidate)-bis(amido) Ti and Zr complexes via protonolysis. These complexes have been structurally characterized by NMR spectroscopy and X-ray crystallography. The solid-state molecular structures of these complexes indicate that the amidate ligands bind to the metal centers in an exclusiv...
متن کاملProton ejection from molecular hydride clusters exposed to strong x-ray pulses.
Clusters consisting of small molecules containing hydrogen do eject fast protons when illuminated by short x-ray pulses. A suitable overall charging of the cluster controlled by the x-ray intensity induces electron migration from the surface to the bulk leading to efficient segregation of the protons and to a globally hindered explosion of the heavy atoms even outside the screened volume. We in...
متن کاملA DFT study of NMR parameters for MgO nanotubes
Magnesium oxide nanotubes of finite length are investigated by the Density Functional Theory (DFT) at the B3LYP/6-31G (d) level. The (6, 0) zigzag and (4, 4) armchair of MgO nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (CSI and CSA) were calculated for 25Mg and 17O atoms of the optimiz...
متن کاملElectronic structure of ilmenite: X-ray absorption and DFT study
The experimental Ti K-edge X-ray absorption near edge structure (XANES) spectrum of the mineral ilmenite was recorded. The theoretical Ti K-XANES spectra of ilmenite were simulated using both the self-consistent real-space full-multiple scattering theory within the muffin-tin approximation for the potential shape and the full-potential finite difference method. The comparison of the theoretical...
متن کاملA DFT study of NMR parameters for MgO nanotubes
Magnesium oxide nanotubes of finite length are investigated by the Density Functional Theory (DFT) at the B3LYP/6-31G (d) level. The (6, 0) zigzag and (4, 4) armchair of MgO nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (CSI and CSA) were calculated for 25Mg and 17O atoms of the optimiz...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Dalton Transactions
سال: 2021
ISSN: ['1477-9234', '1477-9226']
DOI: https://doi.org/10.1039/d1dt00072a