The crystal and molecular structure of sodium 4-(2,4,6-triisopropylbenzoyl)benzoate in terms of the photochemical behaviour of the anion.
Contrary to the known 4-(2,4,6-triisopropylbenzoyl)benzoate salts, di-μ-aqua-bis[tetraaquasodium(I)] bis[4-(2,4,6-triisopropylbenzoyl)benzoate] dihydrate, [Na2(H2O)10](C23H27O3)2·2H2O, (1), does not undergo a photochemical Norrish-Yang reaction in the crystalline state. In order to explain this photochemical inactivity, the intermolecular interactions were analyzed by means of the Hirshfeld surface and intramolecular geometrical parameters describing the possibility of a Norrish-Yang reaction were calculated. The reasons for the behaviour of the title salt are similar crystalline environments for both the o-isopropyl groups in the anion, resulting in similar geometrical parameters and orientations, and that these interaction distances differ significantly from those found in salts where the photochemical reaction occurs.
Faculty of Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, Wrocław 50-370, Poland.
Krzysztof
K
Konieczny
Faculty of Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, Wrocław 50-370, Poland.
Julia
J
Bąkowicz
Faculty of Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, Wrocław 50-370, Poland.
Ilona
I
Turowska-Tyrk
4-(2,4,6-triisopropylbenzoyl)benzoate; Hirshfeld surface; Norrish–Yang reaction; crystal structure; intermolecular interactions; photochemical reaction; sodium salt; solid-state chemistry