Molecular geometries of transition metal complexes influenced by metal–sulfur interactions
نویسندگان
چکیده
منابع مشابه
Activation of Alkanes by Transition Metal Complexes
The data are presented for catalytic H-D exchange of alkanes with protic solvents and some other reactions of alkanes in the presence of transition metal complexes, particularly Pt(II). In Pt(II) chloride solutions the activity of Pt-containing species towards alkanes is in the order S2PtC12> SPtC13> PtC14 (S—solvent). Ligands with properties of soft bases (CN, CNS, PPh etc.) decrease the rate ...
متن کاملExchange Interactions in large Transition Metal Polynuclear Complexes
The magnetic properties of single molecule magnets have been characterized by a computational study based on density functional theory. I have performed the study analyzing the exchange interactions of two Mn12 complexes and especially, focusing in the technical aspects to obtain a proper sets of exchange constants. I have analyzed the effect of the choice of spin configurations employed for th...
متن کاملTransition Metal Imido Complexes
A wide range of transition metal imido (TMI) complexes is studied using ab initio molecular orbital (MO) calculations. The main computational point of interest is the further testing of effective core potentials (ECPs) and valence basis sets to allow for the accurate calculation of properties for reasonably sized transition metal complexes. On the chemical side, several results from the study a...
متن کاملGeometries of Third-Row Transition-Metal Complexes from Density-Functional Theory.
A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precise structural data are known in the gas phase, is used to assess optimized and zero-point averaged geometries obtained from DFT computations with various exchange-correlation functionals and basis sets. For a given functional (except LSDA) Stuttgart-type quasi-relativistic effective core potential...
متن کاملMetal Hydrides: Transition Metal Hydride Complexes
Solid-state metal hydrides provide a safe and efficient way of storing hydrogen (Schlapbach 2002). They are commercialized for use in rechargeable batteries and developed for energy conversion devices such as fuel cells (see Hydrogen Metal Systems: Electrochemical Reactions). A great majority of metal hydrides derives from intermetallic compounds and alloys (see Hydrogen Metal Systems: Hydride ...
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: Acta Crystallographica
سال: 2022
ISSN: ['2053-2733']
DOI: https://doi.org/10.1107/s2053273322098187