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@ARTICLE{Domingos:454844,
author = {Domingos, Sérgio R. and Pérez, Cristóbal and Kreienborg,
Nora M. and Merten, Christian and Schnell, Melanie},
title = {{D}ynamic chiral self-recognition in aromatic dimers of
styrene oxide revealed by rotational spectroscopy},
journal = {Communications chemistry},
volume = {4},
number = {1},
issn = {2399-3669},
address = {[London]},
publisher = {Macmillan Publishers Limited, part of Springer Nature},
reportid = {PUBDB-2021-00777},
pages = {32},
year = {2021},
abstract = {Chiral molecular recognition is a pivotal phenomenon in
biomolecular science, governed by subtle balances of
intermolecular forces that are difficult to quantify.
Non-covalent interactions involving aromatic moieties are
particularly important in this realm, as recurring motifs in
biomolecular aggregation. In this work, we use
high-resolution broadband rotational spectroscopy to probe
the dynamic conformational landscape enclosing the
self-pairing topologies of styrene oxide, a chiral aromatic
system. We reach a definite assignment of four homochiral
and two heterochiral dimers using auxiliary quantum
chemistry calculations as well as structure-solving methods
based on experimental isotopic information. A complete
picture of the dimer conformational space is obtained, and
plausible routes for conformational relaxation are derived.
Molecular structures are discussed in terms of
conformational flexibility, the concerted effort of weak
intermolecular interactions, and their role in the
expression of the molecular fit.},
cin = {FS-SMP / CFEL-SDCCM},
ddc = {540},
cid = {I:(DE-H253)FS-SMP-20171124 /
I:(DE-H253)CFEL-SDCCM-20160915},
pnm = {631 - Matter – Dynamics, Mechanisms and Control
(POF4-631)},
pid = {G:(DE-HGF)POF4-631},
experiment = {EXP:(DE-MLZ)NOSPEC-20140101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000626585700003},
doi = {10.1038/s42004-021-00468-4},
url = {https://bib-pubdb1.desy.de/record/454844},
}