The Cu(i)-catalyzed mechanism of 5-enamined-functionalized fully substituted 1,2,3-triazole synthesis was rationalized by interrupted copper(i)-catalyzed terminal alkynes and organic azides click reaction (CuAAC).
The
matrix isolation infrared spectroscopic and quantum chemical
calculation results indicate that tungsten oxo and mono-superoxide,
WO3 and (η2-O2)WO2, coordinate noble gas atoms in forming noble gas–tungsten
oxide complexes. The results showed that both WO3 and (η2-O2)WO2 oxides can coordinate one Ar
or Xe atom in solid noble gas matrixes; otherwise, tungsten mono-
and dioxides cannot. Hence, the WO3 and (η2-O2)WO2 molecules trapped previously in solid
argon noble gas matrixes should be regarded as the WO3(Ar)
oxide and (η2-O2)WO2(Ar) peroxide
complexes. When annealing, the lighter Ar atom can be replaced by
a heavier xenon atom to form WO3(Xe) and (η2-O2)WO2(Xe) complexes. What’s more,
upon UV photolysis, both Ar and Xe atoms can be replaced by oxygen
to form a tungsten disuperoxide (η2-O2)2WO2 complex. The binding energies were predicted
to be 25.7, 16.6, 9.4, 14.7, and 8.1 kcal/mol for the (η2-O2)2WO2, WO3(Xe),
WO3(Ar), (η2-O2)WO2(Xe), and (η2-O2)WO2(Ar) complexes
at the CCSD(T)//M06-2X-D3//def2-TZVP/DGDZVP/SDD level. The substitution
law, O2 > Xe > Ar, can be interpreted according to
the
chemical reaction energies calculated to be −6.6 and +11.0
kcal/mol, respectively, for the equation formulas Xe + (η2-O2)WO2(Ar) = (η2-O2)WO2(Xe) + Ar and O2 + (η2-O2)WO2(Xe) = (η2-O2)2WO2 + Xe at the same level.
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