Colossal C 130 Fullertubes: Soluble [5,5] C 130 -D 5h (1) Pristine Molecules with 70 Nanotube Carbons and Two 30-Atom Hemifullerene End-caps
Colossal C 130 Fullertubes: Soluble [5,5] C 130 -D 5h (1) Pristine Molecules with 70 Nanotube Carbons and Two 30-Atom Hemifullerene End-caps
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巨大的 C 130 富勒管：可溶 [5,5] C 130 -D 5h (1) 原始分子，具有 70 个纳米管碳和两个 30 原子半富勒烯端盖
DOI：
10.1021/jacs.3c09082
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发表时间：
2023
影响因子：
15
通讯作者：
Côté, Michel
中科院分区：
文献类型：
--
作者：
Bourret, Emmanuel;Liu, Xiaoyang;Noble, Cora A.;Cover, Kevin;Davidson, Tanisha P.;Huang, Rong;Koenig, Ryan M.;Reeves, K. Shawn;Vlassiouk, Ivan V.;Côté, Michel
我们报告了原始[5，5] C130-D5 h（1）富勒烯管的实验分离和DFT表征。这一成就代表了以其原始形式获得的最大可溶性碳分子。[5，5] C130物种是迄今为止纯化的最高长径比的富勒筒，现在超过了最近的巨大[5，5] C120-D5 d（1）。与C90、C100和C120富勒烯管相反，较长的C130-D5 h具有比端帽富勒烯基原子（60）更多的富勒烯纳米管碳（70）。从39，393个可能的C130孤立五边形规则（IPR）结构开始，在分析极化率，保留时间和紫外-可见光谱后，这三层数据显着预测了单一候选异构体和富勒烯，[5，5] C130-D5 h（1）。原子分辨率STEM数据增强了这种结构归属，显示出独特的管状“丸状”结构，其直径和纵横比与[5，5] C130-D5 h（1）富勒管一致。氨基丙醇与球状富勒烯反应的高选择性允许从烟灰提取物中容易地分离和去除富勒烯。协同使用实验分析（HPLC保留时间、UV-vis和STEM）（与极化率和DFT性质计算一起）来向下选择和确认C130富勒管结构。实现一个新的[5，5] C130-D5 h富勒管的隔离打开了一个富勒管系列的分子与系统的管状伸长的电子限制，荧光和金属特性的应用开发和基础研究的大门。这个[5，5]富勒管家族还邀请与单壁碳纳米管（SWCNT），纳米角（SWCNH）和富勒烯进行比较研究。
We report the seminal experimental isolation and DFT characterization of pristine [5,5] C130-D5h(1) fullertubes. This achievement represents the largest soluble carbon molecule obtained in its pristine form. The [5,5] C130species is the highest aspect ratio fullertube purified to date and now surpasses the recent gigantic [5,5] C120-D5d(1). In contrast to C90, C100, and C120fullertubes, the longer C130-D5hhasmorenanotubular carbons (70) than end-cap fullerenyl atoms (60). Starting from 39,393 possible C130isolated pentagon rule (IPR) structures and after analyzing polarizability, retention time, and UV–vis spectra, these three layers of data remarkably predict a single candidate isomer and fullertube, [5,5] C130-D5h(1). This structural assignment is augmented by atomic resolution STEM data showing distinctive and tubular “pill-like” structures with diameters and aspect ratios consistent with [5,5] C130-D5h(1) fullertubes. The high selectivity of the aminopropanol reaction with spheroidal fullerenes permits facile separation and removal of fullertubes from soot extracts. Experimental analyses (HPLC retention time, UV–vis, and STEM) were synergistically used (with polarizability and DFT property calculations) to down select and confirm the C130fullertube structure. Achieving the isolation of a new [5,5] C130-D5hfullertube opens the door to application development and fundamental studies of electron confinement, fluorescence, and metallic character for a fullertube series of molecules with systematic tubular elongation. This [5,5] fullertube family also invites comparative studies with single-walled carbon nanotubes (SWCNTs), nanohorns (SWCNHs), and fullerenes.