Chemistry Reference
In-Depth Information
Closed-Shell and Open-Shell 2D Nanographenes
Zhe Sun and Jishan Wu
Abstract This chapter describes a series of two-dimensional (2D) expanded arene
networks, also known as nanographenes, with either closed-shell or open-shell
electronic structure in the ground state. These systems are further categorized into
three classes on a basis of different edge structures: those with zigzag edges only,
those with armchair edges only, and those possessing both. Distinctive physical
properties of these 2D aromatic systems are closely related to their structural
characteristics and provide great potential for them as materials for different
applications.
Keywords Armchair
Graphene
Opto-electronic materials
Polycyclic aromatic
hydrocarbons
Radicals
Zigzag
Contents
1
Introduction .................................................................................. 198
2
2D Nanographenes with Only Zigzag Edges ............................................... 200
2.1 Phenalenyl-Based Open-Shell Systems .............................................. 201
2.2 Triangulene-Based Triplet Biradicals ................................................ 215
3
2D Nanographenes with Both Zigzag Edges and Armchair Edges . ...................... 218
3.1 Rylenes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 219
3.2 Anthenes and Periacenes .............................................................. 224
