TY - JOUR
T1 - The Aromatic Character of Diindeno[2,1-b:2′,1′-h]biphenylene
AU - Stanger, Amnon
N1 - Publisher Copyright:
© 2022 American Chemical Society
PY - 2022/1/28
Y1 - 2022/1/28
N2 - The tropicity of the title system was studied using NICS(1.7)π,zz-XY-scans and current density analysis, showing a global diatropic loop and local dia- and paratropic loops. This aromaticity picture is very different from the one proposed based on NICS(1) and HOMA ( Org. Lett. 2021, 23, 8794−8798). It is predicted that 1 should be suitable for singlet fission applications. It is concluded that local aromatic indices should not be used for the full analysis of multiring conjugated systems.
AB - The tropicity of the title system was studied using NICS(1.7)π,zz-XY-scans and current density analysis, showing a global diatropic loop and local dia- and paratropic loops. This aromaticity picture is very different from the one proposed based on NICS(1) and HOMA ( Org. Lett. 2021, 23, 8794−8798). It is predicted that 1 should be suitable for singlet fission applications. It is concluded that local aromatic indices should not be used for the full analysis of multiring conjugated systems.
UR - http://www.scopus.com/inward/record.url?scp=85124296509&partnerID=8YFLogxK
U2 - 10.1021/acs.orglett.2c00104
DO - 10.1021/acs.orglett.2c00104
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C2 - 35089721
AN - SCOPUS:85124296509
SN - 1523-7060
VL - 24
SP - 1243
EP - 1246
JO - Organic Letters
JF - Organic Letters
IS - 5
ER -