Recently I am researching about ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; COPPER(II) COMPLEXES; CATALYTIC MECHANISM; BETA-MONOOXYGENASE; OLEFIN EPOXIDATION; COMPOUND I; ATOMS LI; OXO; MONONUCLEAR, Saw an article supported by the Alabama Supercomputer Authority; National Science FoundationNational Science Foundation (NSF) [CHE-1955754]; NSF MRI programNational Science Foundation (NSF)NSF – Office of the Director (OD) [CHE-1828362]; University of Alabama in Huntsville. Quality Control of Anthrone. Published in ELSEVIER SCIENCE SA in LAUSANNE ,Authors: Khazanov, TM; Botcha, NK; Yergeshbayeva, S; Shatruk, M; Mukherjee, A. The CAS is 90-44-8. Through research, I have a further understanding and discovery of Anthrone
This work presents a detailed study of the reactivity of three mononuclear Cu-II complexes supported by derivatives of the tetradentate ligand N,N’-bis(2-pyridylmethyl)-1,2-ethylenediamine (bispicen). The Cu-II complexes are capable of performing C – H bond activation in the presence of NEt3 and H2O2 through what has been proposed computationally to be a [CuO](+) intermediate. A wavefunction-based quantum chemical investigation into the electronic structure of the proposed [CuO](+) intermediate reveals a triplet ground state predominantly consistent with an S = 1/2 Cu-II center ferromagnetically coupled to an oxyl radical, though contributions from the corresponding biradicaloid CM-oxen resonance structure may be nontrivial. Furthermore, correlation of the electronic structure of the proposed intermediate with analogous high-valent metal-oxo species capable of olefin epoxidation suggests that the Cu-II complexes might be also capable of olefin epoxidation in the presence of NEt3 and H2O2. To test this hypothesis experimentally, the Cu-II complexes are treated with NEt 3 and H2O2 in the presence of alkene substrates, resulting in the formation of epoxides.
About Anthrone, If you have any questions, you can contact Khazanov, TM; Botcha, NK; Yergeshbayeva, S; Shatruk, M; Mukherjee, A or concate me.. Quality Control of Anthrone
Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem