Published 2020-04-01
“…In an effort to explain the experimentally observed variation of the photocatalytic activity of <inline-formula> <math display="inline"> <semantics> <msup> <mrow></mrow> <mi>t</mi> </msup> </semantics> </math> </inline-formula>Bu<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>3</mn> </msub> </semantics> </math> </inline-formula>P, <inline-formula> <math display="inline"> <semantics> <msup> <mrow></mrow> <mi>n</mi> </msup> </semantics> </math> </inline-formula>Bu<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>3</mn> </msub> </semantics> </math> </inline-formula>P and (MeO)<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>3</mn> </msub> </semantics> </math> </inline-formula>P in the blue-light regime [Helmecke et al.,
Org. Lett. 21 (2019) 7823], we have explored the absorption characteristics of several phosphine– and phosphite–IC<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>4</mn> </msub> </semantics> </math> </inline-formula>F<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>9</mn> </msub> </semantics> </math> </inline-formula> adducts by means of relativistic density functional theory and multireference configuration interaction methods. …”
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