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Structural reasons for the formation of multicomponent products and the influence of high pressure

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dc.abstract.en(S)-(−)-1-Phenyl­ethan­aminium 4-(2,4,6-tri­iso­propyl­benzoyl)­benzoate (S-PEAT­PBB) undergoes a photochemical reaction in its crystalline form upon UV irradiation and forms three different products: the first product is the result of a Yang cyclization with the participation of the δ-H atom of o-iso­propyl (product D) and the second and third products are obtained via a Norrish–Yang reaction with the involvement of the γ-H atom of 2-iso­propyl (product P) and 6-iso­propyl (product Z). These products are formed in different proportions (D > P >> Z). The path and kinetics of the reaction were monitored step-by-step using crystallographic methods, both under ambient and high-pressure conditions. The reactivity of S-PEATPBB depends strongly on the geometry of the reaction centre and the volume of the reaction cavity. Due to the geometrical preferences making the cyclization reaction easier to proceed, product D dominates over the other products, while the formation of product Z becomes difficult or almost impossible at high pressure. The reaction proceeds with an increase of the unit-cell volume, which, suppressed by high pressure, results in a significant decrease of the reaction rate. The crystal lattice of S-PEATPBB shows high elasticity. The quality of the partially reacted crystal remains the same after decom­pression from 0.75 GPa to 0.1 MPa.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorR, Warren Mark
dc.contributor.authorDamian, Paliwoda
dc.contributor.authorTUROWSKA-TYRK, ILONA
dc.contributor.authorBĄKOWICZ, JULIA
dc.contributor.authorKONIECZNY, KRZYSZTOF
dc.contributor.authorCyrański, Michał
dc.contributor.authorCiesielski, Arkadiusz
dc.date.accessioned2024-01-26T08:21:40Z
dc.date.available2024-01-26T08:21:40Z
dc.date.issued2021
dc.description.financePublikacja bezkosztowa
dc.description.numberpt. 3
dc.description.volumeB77
dc.identifier.doi10.1107/S2052520621004492
dc.identifier.issn2052-5206
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/120901
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
dc.relation.pages321-330
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.encrystal structure
dc.subject.enhigh-pressure structure
dc.subject.enphotochemistry
dc.subject.enX-ray structure analysis
dc.subject.ensolid-state reaction
dc.titleStructural reasons for the formation of multicomponent products and the influence of high pressure
dc.typeJournalArticle
dspace.entity.typePublication