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It prefers the former arrangement in the free dimer, but dinitrogen coordination of the acceptor OH favors the latter, as FTIR spectroscopy in supersonic jets suggests. A multi\u2010step divide\u2010and\u2010conquer strategy was employed to rule out density functional and other inexpensive quantum chemical methods within the harmonic approximation. Among 20 exploratory single determinant calculations, only those based on the B3LYP\u2010D3 functional provide a satisfactory description of six carefully assessed experimental constraints for this fluorous hydrogen bond competition. Low barrier intermolecular torsion balances are proposed more generally as non\u2010covalent conformational energy benchmarking tools.<\/jats:p>","DOI":"10.1002\/anie.201705301","type":"journal-article","created":{"date-parts":[[2017,8,11]],"date-time":"2017-08-11T08:28:37Z","timestamp":1502440117000},"page":"12672-12676","source":"Crossref","is-referenced-by-count":16,"title":["Experimental Reference Data for Hexafluorinated Propanol by Exploring an Unusual Intermolecular Torsional Balance"],"prefix":"10.1002","volume":"56","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9047-8910","authenticated-orcid":false,"given":"S\u00f6nke","family":"Oswald","sequence":"first","affiliation":[{"name":"Institute of Physical Chemistry University of Goettingen  Tammannstr. 6 37077 Goettingen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8841-7705","authenticated-orcid":false,"given":"Martin A.","family":"Suhm","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry University of Goettingen  Tammannstr. 6 37077 Goettingen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2017,8,31]]},"reference":[{"key":"e_1_2_2_1_1","doi-asserted-by":"publisher","DOI":"10.2533\/chimia.2017.202"},{"key":"e_1_2_2_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24605"},{"key":"e_1_2_2_3_1","doi-asserted-by":"crossref","unstructured":"R.\u2005A. 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