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methods and models
methods and models

... which is typical for high-spin tetracoordinated complexes of nickel. The calculations on quintet PES have resulted to the structure 26, destabilized relative to planar structure 24 on 5.8 kcal/mol. The spin density distribution in structure 26 shows the localization of two unpaired electrons on meta ...
Chapter 5. ACIDITY AND BASICITY OF ORGANIC COMPOUNDS
Chapter 5. ACIDITY AND BASICITY OF ORGANIC COMPOUNDS

... Another stabilizing factor is the polarizability (opposed to polarity) of an element in the acidic site. This term means the ability of the electrons to respond to a changing electric field, as a result of its interaction with solvent or with other polar reagents. Relative polarizability increases ...
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Desert varnish, a coating of manganese and iron oxide grains held

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... Metal-organic frameworks of composition Zn4O(BDC)3 where BDC stays for 1,4-benzenedicarboxylate (Figure 4, A) and related structures (Figure 4, B and C), form a cubic three-dimensional extended porous structure which is able to adsorb hydrogen up to 4.5 weight percent (17.2 hydrogen molecules per fo ...
Paramagnetic organometallic compounds – The example chromium
Paramagnetic organometallic compounds – The example chromium

... (µeff = 3.2 µB) exhibits a very broad 1H NMR resonance at ca 324 ppm, and its 13C NMR resonance has been located at – 325 ppm!7. Despite these inconvenient and somewhat uninformative NMR data, chromocene is a very interesting molecule; for example, when supported on silica it forms a highly active e ...
One-dimensional Substances
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... in chains. There are three mutually perpendicular sets of chains, pointing to the three directions of three-dimensional space. At first glance the structure seems three-dimensional and it takes some imagination to recognize the chains. The distance between two vanadium or niobium atoms in the same c ...
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Chemistry 115 Lecture Number Seventeen Test Two Review April 2

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COMPLEXES WITH BIOLOGICALLY ACTIVE LIGANDS

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ANew Copper(II)ComplexwiththeN,N`-Bis(antipyryl-4

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Selective Ethanol Synthesis from Carbon Dioxide

... of pure rhodium. Acyl species, formed from the decomposition of adsorbed ethanol, interact with surface oxygen atoms to form the more stable acetate, see Scheme (a). Indeed, it has been proposed that the role of promoters, which preferably exist as metal oxides, is to effect this stabilisation of ac ...
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Surface properties of transition metal oxides

Transition metal oxides are compounds composed of oxygen atoms bound to transition metals. They are commonly utilized for their catalytic activity and semiconductive properties. Transition metal oxides are also frequently used as pigments in paints and plastics, most notably titanium dioxide. Transition metal oxides have a wide variety of surface structures which affect the surface energy of these compounds and influence their chemical properties. The relative acidity and basicity of the atoms present on the surface of metal oxides are also affected by the coordination of the metal cation and oxygen anion, which alter the catalytic properties of these compounds. For this reason, structural defects in transition metal oxides greatly influence their catalytic properties. The acidic and basic sites on the surface of metal oxides are commonly characterized via infrared spectroscopy, calorimetry among other techniques. Transition metal oxides are also able to undergo photo-assisted adsorption and desorption to control their semiconductivity. One of the more researched properties of these compounds is their response to electromagnetic radiation, which makes them useful catalysts for redox reactions, isotope exchange, specialized surfaces, and a variety of other uses currently being studied.
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