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@ARTICLE{Heywood:454613,
author = {Heywood, Victoria L. and Alford, Thomas P. J. and
Roeleveld, Julius J. and Lekanne Deprez, Siebe J. and
Verhoofstad, Abraham and van der Vlugt, Jarl Ivar and
Domingos, Sérgio R. and Schnell, Melanie and Davis, Anthony
P. and Mooibroek, Tiddo J.},
title = {{O}bservations of tetrel bonding between $sp^{3}$-carbon
and {THF}},
journal = {Chemical science},
volume = {11},
number = {20},
issn = {2041-6539},
address = {Cambridge},
publisher = {RSC},
reportid = {PUBDB-2021-00615},
pages = {5289 - 5293},
year = {2020},
abstract = {We report the direct observation of tetrel bonding
interactions between $sp^{3}$-carbons of the supramolecular
synthon 3,3-dimethyl-tetracyanocyclopropane (1) and
tetrahydrofuran in the gas and crystalline phase. The
intermolecular contact is established via σ-holes and is
driven mainly by electrostatic forces. The complex manifests
distinct binding geometries when captured in the crystalline
phase and in the gas phase. We elucidate these binding
trends using complementary gas phase quantum chemical
calculations and find a total binding energy of −11.2 kcal
mol$^{−1}$ for the adduct. Our observations pave the way
for novel strategies to engineer $sp^{3}$-C centred
non-covalent bonding schemes for supramolecular chemistry.},
cin = {CFEL-SDCCM / FS-SMP},
ddc = {540},
cid = {I:(DE-H253)CFEL-SDCCM-20160915 /
I:(DE-H253)FS-SMP-20171124},
pnm = {6211 - Extreme States of Matter: From Cold Ions to Hot
Plasmas (POF3-621)},
pid = {G:(DE-HGF)POF3-6211},
experiment = {EXP:(DE-MLZ)NOSPEC-20140101},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:34122986},
UT = {WOS:000537133000015},
doi = {10.1039/D0SC01559H},
url = {https://bib-pubdb1.desy.de/record/454613},
}