Cycloparaphenylene Mobius trefoils

Steven M. Bachrach

doi:10.1039/d0cc04190d

2020-01-01

PRE

Steven M. Bachrach *

Henry S. Rzepa

DOI：10.1039/d0cc04190d

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摘要

En 中文

DFT computations (omega B97X-D/6-31G(d)) of eight different cycloparaphenylenes that have three internal linking groups are shown to have two different conformations that express interesting Mobius topologies. The D-3 conformers have linking numbers Lk of 3 (three half-twists as a trefoil), and the much more stable C-2 conformers have a single half-twist, Lk = 1.

Keyword:

TWIST

AROMATICITY

MOLECULES

LINKING

NUMBER

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期刊

Chemical Communications

IF:

4.2

论文数:

5.9W

被引数:

16.5W

机构

Monmouth University

学者数:

244

论文数: 250

被引数: 142

Imperial College London

学者数:

8.3W

论文数: 7.3W

被引数: 11.1W

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