Design and Synthesis of Carbon Nanotube Segments

Abstract

The selective and predictable synthesis of structurally uniform carbon nanotubes (CNTs) represents a long-standing goal in both nanocarbon science and synthetic organic chemistry. This Review focuses on synthetic studies toward the controlled synthesis of CNTs with single chirality through the organic synthesis of CNT segments and the organic template assisted growth of CNTs.

Expanding the Chemical Space of Biocompatible Fluorophores: Nanohoops in Cells

“…[22][23] Since then, the development of synthetic methods to prepare nanohoops have unveiled several unique, size-dependent photophysical properties that are a direct result of the radially oriented pi-system of this unusual architecture. [24][25][26][27] First, the bending of the π-system increases delocalization around the hoop due to induction of a small amount of quinoidal character in these strained systems. [28] Second, the hoop architecture forces neighboring aromatic units to have smaller dihedral angles than in an acyclic oligomeric system due to conformational constraints of the macrocyclic geometry, again leading to increased conjugation.…”

Shortest Double‐Walled Carbon Nanotubes Composed of Cycloparaphenylenes

“…[13]CPPa lso forms ac omplex with [4]cyclo-2,7-pyrenylene ([4]CPY), which is a p-extended [8]CPP.T heoretical calculations suggest that the formation of [13]CPP '[4]CPY is more exothermic than that of [13]CPP' [8]CPP.Aternary complex, [15]CPP'[10]CPP'C 60 ,i sa lso formed by mixing [ 15]CPP and [10]CPP'C 60 .…”

Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure–Property Relationships for Cyclic Nanorings

“…Closed-shell calculations for singlets and openshell calculations for doublets (cationic and anionic species) have been carried out for the different derivatives [3][4][5]CPY. Vif calculations were carried out over each [4]CPY dimer extracted from the crystalline structure, by using the UHF/cc-pVDZ level of theory.…”

“…21 In this sense, the comparison between CPY and CPP analogues could be useful to understand their behavior as precursors for the bottom-up synthesis of structurally uniform armchair CNTs, or for some other envisioned applications of these promising CNT segments. 22 Herein, we have studied from a theoretical point of view a series of CPYs (ranging between [3] to [5]CPYs) in order to determine: (i) how the structural, electronic, and energetical properties of isolated [3][4][5]CPY systems theoretically evolve with system size; and (ii) how these systems self-assemble in the solid-state, chosen [4]CPY (the only system synthesized so far) as a case study, after calculating the non-covalent interactions between the set of unique molecular arrangements found in crystalline samples. Moreover, taking account that pyrene is a substituent of large interest in many opto-electronic applications, 23 the charge injection and transport properties of solid-state samples of [4]CPY have been subsequently modelled.…”

“…Moreover, taking account that pyrene is a substituent of large interest in many opto-electronic applications, 23 the charge injection and transport properties of solid-state samples of [4]CPY have been subsequently modelled. In the next sections, we will thus present and discuss the key properties of [3][4][5]CPY individual (gas-phase) molecules, and the supramolecular interaction energy as well as the chargetransport features of [4]CPY, thoroughly comparing these properties, at the same level of theory, with the [2n]CPP parent compounds (see also figure 1) in an attempt to establish structure-property relationships. Figure 1.…”