Author: Arkalekha Mandal

0000000001096817

AUTHOR

Arkalekha Mandal

0000-0003-4292-4722

Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid

Here we report charge-transfer cocrystals composed of pyrene and amino/bromopyrene as π-donors (D) and 3,5-dinitrobenzoic acid (A) as a π-acceptor. The 1 : 1 cocrystals of pyrene/1-aminopyrene adopt a ⋯DADADA⋯ mixed stack arrangement whereas the 2 : 1 cocrystal of 1-bromopyrene and 3,5-dinitrobenzoic acid shows ⋯DDADDA⋯ stacking. Crystallographic, spectral and theoretical studies reveal that the frontier molecular orbital energy level rather than the π-donor strength plays the governing role in predicting charge transfer. In addition, a theoretical study demonstrates that the ambipolar semiconductor nature in cocrystals of the pyrene/aminopyrene donor and the p-type nature of bromopyrene wi…

research product

CCDC 1909045: Experimental Crystal Structure Determination

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

research product

CCDC 1576743: Experimental Crystal Structure Determination

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

research product

CCDC 1909046: Experimental Crystal Structure Determination

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

research product

PEPhysical Sciences and Engineering
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