منابع مشابه
Transition 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 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 کاملNonlinear d10-ML2 Transition-Metal Complexes
We have investigated the molecular geometries of a series of dicoordinated d(10)-transition-metal complexes ML2 (M=Co(-), Rh(-), Ir(-), Ni, Pd, Pt, Cu(+), Ag(+), Au(+); L=NH3, PH3, CO) using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. Not all complexes have the expected linear ligand-metal-ligand (L-M-L) angle: this angle varies from 180° to 128.6° as a function of the metal...
متن کاملTransition-metal complexes of expanded porphyrins.
Over the last 2 decades, the rapid development of new synthetic routes for the preparation of expanded porphyrin macrocycles has allowed for the exploration of a new frontier consisting of "porphyrin-like" coordination chemistry. In this Account, we summarize our exploratory forays into the still relatively poorly explored area of oligopyrrolic macrocycle metalation chemistry. Specifically, we ...
متن کاملStudies on Transition Metal Murexide Complexes
Murexide, a reddish purple compound has the structure shown in Fig. 1. It has received much interest because of its application in chemical analysis and spectrophotometric fields [1, 2]. It is considered as the ammonium salt of purpuric acid and named as ammonium 2,6-dioxo-5-(2,4,6-trioxo-tetrahydro-pyrimidine-5-ylidene amino)-1,2,3,6-tetrahydro-pyrimidine-4-olate. It serves as a metal ion indi...
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ژورنال
عنوان ژورنال: Polyhedron
سال: 1986
ISSN: 0277-5387
DOI: 10.1016/s0277-5387(00)87113-2