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二氰基和四氰基取代的芘并吡嗪并四苯：固态中的聚集

Di- and Tetracyano-Substituted Pyrene-Fused Pyrazaacenes: Aggregation in the Solid State.

作者信息

Ueberricke Lucas, Ciubotaru Ioana, Ghalami Farhad, Mildner Felix, Rominger Frank, Elstner Marcus, Mastalerz Michael

机构信息

Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg, Im Neuenheimer Feld 270, 69120, Heidelberg, Germany.

Institut für Physikalische Chemie, Karlsruher Institute of Technology (KIT), Kaiserstrasse 12, 76131, Karlsruhe, Germany.

出版信息

Chemistry. 2020 Sep 4;26(50):11634-11642. doi: 10.1002/chem.202002382. Epub 2020 Jul 30.

DOI:10.1002/chem.202002382
PMID:32459010
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7540477/
Abstract

Five di- and tetracyano-substituted pyrene-fused pyrazaacenes were synthesized and studied as potential electron acceptors in the solid state. Single crystals of all compounds were grown and the crystal packing studied by DFT calculations (transfer integrals and reorganization energies) to get insight into possible use for semiconducting charge transport.

摘要

合成了五种二氰基和四氰基取代的芘并吡嗪并研究了其作为固态潜在电子受体的性能。生长了所有化合物的单晶，并通过密度泛函理论计算（转移积分和重组能）研究了晶体堆积，以深入了解其在半导体电荷传输方面的潜在用途。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/36b7a2835b4a/CHEM-26-11634-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/f845f08f69e9/CHEM-26-11634-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/1ea564641f20/CHEM-26-11634-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/6558d805d4e2/CHEM-26-11634-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/8d7e9d4be9e4/CHEM-26-11634-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/d6b7a556b2c4/CHEM-26-11634-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/361f6108bd64/CHEM-26-11634-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/94df10cdb348/CHEM-26-11634-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/7c2775641626/CHEM-26-11634-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/be55d84bc36f/CHEM-26-11634-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/36b7a2835b4a/CHEM-26-11634-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/f845f08f69e9/CHEM-26-11634-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/1ea564641f20/CHEM-26-11634-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/6558d805d4e2/CHEM-26-11634-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/8d7e9d4be9e4/CHEM-26-11634-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/d6b7a556b2c4/CHEM-26-11634-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/361f6108bd64/CHEM-26-11634-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/94df10cdb348/CHEM-26-11634-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/7c2775641626/CHEM-26-11634-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/be55d84bc36f/CHEM-26-11634-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0606/7540477/36b7a2835b4a/CHEM-26-11634-g008.jpg

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