Naslov
π-stacking in charge-transfer complexes of TMPD (Wurster’s blue) and different quinones

Autori
Stanić, Petra ; Molčanov, Krešimir

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
International School of Crystallography ; 56th Course: Crystallography under extreme conditions, The future is bright and very compressed: Programme & Poster Abstracts / - Erice : Ettore Majorana Foundation and Centre for Scientific Culture, 2022, 47-47

Skup
International School of Crystallography ; 56th Course: Crystallography under extreme conditions, The future is bright and very compressed

Mjesto i datum
Erice, Italija, 03.06.2022. - 11.06.2022

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
TMPD ; π-stacking ; charge-transfer

Sažetak
Charge-transfer complexes are systems of two or more molecules in which portion of charge is transferred between molecular units. Such complexes are stabilized by the electrostatic attraction between electron-rich donors and electron-deficient acceptors.1 One of the well-known electron donors is N, N, N′, N′- tetramethyl-p-phenylenediamine (TMPD or Wurster’s blue).2 It can form charge-transfer complexes as a radical cation with electronegative quinones or semiquinone radical anions.3 Here we report a study on π-stacking and multicentric bonding in charge-transfer complexes with partially charged TMPD radical cation. We have prepared a series of co-crystals of TMPD and different quinones ; 2, 3- dicyano-5, 6-dichloroquinone (1), tetrafluorquinone (2), tetrachlorquinone (3), tetrabromquinone (4), 7, 7, 8, 8-tetracyanoquinodimethane (5) and 2, 3, 5, 6- tetrafluoro-7, 7, 8, 8- tetracyanoquinodimethane (6). These systems were studied by means of variabletemperature crystallography (80 - 400 K) and X-ray charge density. Complexes of TMPD with 3 and 5 have been observed previously.3 In prepared charge-transfer compounds stacking interactions between TMPD and quinone molecules are present. There are three types of stacks observed (Figure 1.). First, in co-crystals with 1, 3, 4 and 5 moieties form equidistant stacks of alternating TMPD and quinones. The second type is pancake-bonded dimers of TMPD and quinone in complex with 2. And in co- crystal with 6 moieties form 2D arrays of alternating TMPD and quinone molecules. For crystals of TMPD with 3 and 4, a polymorphic phase transition at lower temperature was observed when moieties change the type of stacking to the second type mentioned, pancake-bonded dimers

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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