High-resolution rotational spectroscopy of a molecular rotary motor

Domingos, Sergio R.

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https://hdl.handle.net/2142/96875 Copy

Description

Title

High-resolution rotational spectroscopy of a molecular rotary motor

Author(s)

Domingos, Sergio R.

Contributor(s)

• Schnell, Melanie
• Feringa, Ben L.
• Browne, Wesley R.
• Buma, Wybren Jan
• Perez, Cristobal
• Cnossen, Arjen

Issue Date

2017-06-20

Keyword(s)

Structure determination

Abstract

To develop synthetic molecular motors and machinery that can mimic their biological counterparts has become a stimulating quest in modern synthetic chemistry. Gas phase studies of these simpler synthetic model systems provide the necessary isolated conditions that facilitate the elucidation of their structural intricacies. We report the first high-resolution rotational study of a synthetic molecular rotary motor based on chiral overcrowded alkenesfootnote{Vicario et al. Chem. Commun., 5910-5912 (2005)} (C$_{27}$H$_{20}$) using chirp-pulsed Fourier transform microwave spectroscopyfootnote{Brown et al. Rev. Sci. Instrum., 79, 053103 (2008)}. Rotational constants and quartic centrifugal distortion constants were determined based on a fit using more than two hundred rotational transitions spanning 5$leq$J$leq$21 in the 2$-$4 GHz frequency range. Despite the lack of polar groups, the rotor’s asymmetry produces strong a$-$ and b$-$type rotational transitions arising from a single predominant conformer. Evidence for fragmentation of the rotor allows for unambiguous identification of the isolated rotor components. The experimental spectroscopic parameters of the rotor are compared and discussed against current high-level {it ab initio} and density functional theory methods.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96875

DOI

https://doi.org/10.15278/isms.2017.TC03

Copyright and License Information

Copyright 2017 Sergio R. Domingos

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