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000454613 1001_ $$aHeywood, Victoria L.$$b0
000454613 245__ $$aObservations of tetrel bonding between $sp^{3}$-carbon and THF
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000454613 520__ $$aWe 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.
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000454613 7001_ $$aAlford, Thomas P. J.$$b1
000454613 7001_ $$aRoeleveld, Julius J.$$b2
000454613 7001_ $$aLekanne Deprez, Siebe J.$$b3
000454613 7001_ $$aVerhoofstad, Abraham$$b4
000454613 7001_ $$00000-0003-0665-9239$$avan der Vlugt, Jarl Ivar$$b5
000454613 7001_ $$0P:(DE-H253)PIP1023833$$aDomingos, Sérgio R.$$b6
000454613 7001_ $$0P:(DE-H253)PIP1013514$$aSchnell, Melanie$$b7
000454613 7001_ $$00000-0001-5213-624X$$aDavis, Anthony P.$$b8
000454613 7001_ $$00000-0002-9086-1343$$aMooibroek, Tiddo J.$$b9$$eCorresponding author
000454613 773__ $$0PERI:(DE-600)2559110-1$$a10.1039/D0SC01559H$$gVol. 11, no. 20, p. 5289 - 5293$$n20$$p5289 - 5293$$tChemical science$$v11$$x2041-6539$$y2020
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