Issue 14, 2021

Electronic structure of n-cycloparaphenylenes directly observed by photoemission spectroscopy

Abstract

A series of n-cycloparaphenylenes ([n]CPP, n = 8, 9, and 12) were studied by ultraviolet photoemission, inverse photoemission, ultraviolet-visible absorption, and X-ray photoemission spectroscopy to detect their unique electronic structures. [n]CPP has a cyclic structure in which both ends of n-poly(p-phenylene)s (nP) are connected. The molecular size dependence of the HOMO–LUMO gap of [n]CPP was investigated by direct observation and was found to increase as the molecular size increased. This trend is opposite to that of typical π-conjugated systems. Highly strained molecular structures, especially of small [n]CPPs, significantly impact their electronic structure. Insights into the electronic structure of [n]CPP obtained here will aid the design of electronic functionality of non-planar π-conjugation systems.

Graphical abstract: Electronic structure of n-cycloparaphenylenes directly observed by photoemission spectroscopy

Supplementary files

Article information

Article type
Paper
Submitted
09 Feb 2021
Accepted
29 Mar 2021
First published
30 Mar 2021
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2021,23, 8361-8367

Electronic structure of n-cycloparaphenylenes directly observed by photoemission spectroscopy

K. Kanai, T. Inoue, T. Furuichi, K. Shinoda, T. Iwahashi and Y. Ouchi, Phys. Chem. Chem. Phys., 2021, 23, 8361 DOI: 10.1039/D1CP00625H

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