58452-28-1 Usage
Description
Tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate is a coordination compound consisting of a copper(I) center coordinated to four acetonitrile ligands and a trifluoromethanesulfonate counterion. It also contains a hemihydrate molecule, which is a water molecule bound to half of the compound. tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate is known for its unique structure and properties, making it a valuable research chemical.
Uses
Used in Research Applications:
Tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate is used as a research chemical for studying the properties and behavior of coordination compounds. Its unique structure and properties make it an interesting subject for research in various fields, such as inorganic chemistry, materials science, and supramolecular chemistry.
Used in Catalyst Development:
tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate can also be used as a catalyst or a precursor for the development of new catalysts. Its copper(I) center and acetonitrile ligands can participate in various chemical reactions, making it a potential candidate for catalytic applications in organic synthesis and other chemical processes.
Used in Material Science:
Tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate can be employed in the development of new materials with unique properties. Its coordination structure and the presence of the hemihydrate molecule can contribute to the formation of novel materials with potential applications in various industries, such as electronics, pharmaceuticals, and environmental technology.
Used in Supramolecular Chemistry:
tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate can be utilized in the field of supramolecular chemistry, where non-covalent interactions between molecules are studied. The coordination bonds and the hemihydrate molecule in tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate hemihydrate can provide insights into the formation and stability of supramolecular assemblies and their potential applications.
Physical Form
Solid
Check Digit Verification of cas no
The CAS Registry Mumber 58452-28-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,4,5 and 2 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 58452-28:
(7*5)+(6*8)+(5*4)+(4*5)+(3*2)+(2*2)+(1*8)=141
141 % 10 = 1
So 58452-28-1 is a valid CAS Registry Number.
58452-28-1Relevant articles and documents
Structurally Characterized μ-1,2-Peroxo/Superoxo Dicopper(II) Pair
Brinkmeier, Alexander,Buchhorn, Moritz,Dechert, Sebastian,Demeshko, Serhiy,Krewald, Vera,Meyer, Franc,Schulz, Roland A.,Spyra, Can-Jerome
, p. 10361 - 10366 (2021)
Superoxo complexes of copper are primary adducts in several O2-activating Cu-containing metalloenzymes as well as in other Cu-mediated oxidation and oxygenation reactions. Because of their intrinsically high reactivity, however, isolation of Cux(O2) species is challenging. Recent work (J. Am. Chem. Soc. 2017, 139, 9831; 2019, 141, 12682) established fundamental thermochemical data for the H atom abstraction reactivity of dicopper(II) superoxo complexes, but structural characterization of these important intermediates was so far lacking. Here we report the first crystallographic structure determination of a superoxo dicopper(II) species (3) together with the structure of its 1e- reduced peroxo congener (2; a rare cis-μ-1,2-peroxo dicopper(II) complex). Interconversion of 2 and 3 occurs at low potential (-0.58 V vs Fc/Fc+) and is reversible both chemically and electrochemically. Comparison of metric parameters (d(O-O) = 1.441(2) A for 2 vs 1.329(7) A for 3) and of spectroscopic signatures (ν(16O-16O) = 793 cm-1 for 2 vs 1073 cm-1 for 3) reflects that the redox process occurs at the bridging O2-derived unit. The CuII-O2?-CuII complex has an S = 1/2 spin ground state according to magnetic and EPR data, in agreement with density functional theory calculations. Computations further show that the potential associated with changes of the Cu-O-O-Cu dihedral angle is shallow for both 2 and 3. These findings provide a structural basis for the low reorganization energy of the kinetically facile 1e- interconversion of μ-1,2-superoxo/peroxo dicopper(II) couples, and they open the door for comprehensive studies of these key intermediates in Cux/O2 chemistry.
