Files in this item

FilesDescriptionFormat

application/pdf

application/pdf2475.pdf (19kB)
(no description provided)PDF

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
Subject(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.
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96875
DOI:10.15278/isms.2017.TC03
Date Available in IDEALS:2017-07-27


This item appears in the following Collection(s)

Item Statistics