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A SAPT analysis pointed out that electrostatic S\u22c5\u22c5\u22c5S interactions play the dominant role in determining the stability of the complex, largely overcoming dispersion and C\u2212H\u22c5\u22c5\u22c5O hydrogen\u2010bond contributions. Indeed, in agreement with the analysis of the quadrupole\u2010coupling constants and of the methyl internal rotation barrier, the NBO and NOCV\/CD approaches show a marked charge transfer between the sulfur atoms. Based on the assignment of the rotational spectra for 7 isotopologues, an accurate semi\u2010experimental equilibrium structure for the heavy\u2010atom backbone of the molecular complex has been determined, which is characterized by a S\u22c5\u22c5\u22c5S distance (2.947(3)\u2005\u00c5) well below the sum of van der Waals radii.<\/jats:p>","DOI":"10.1002\/anie.201810637","type":"journal-article","created":{"date-parts":[[2018,10,10]],"date-time":"2018-10-10T16:09:08Z","timestamp":1539187748000},"page":"15822-15826","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":57,"title":["Unveiling the Sulfur\u2013Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond"],"prefix":"10.1002","volume":"57","author":[{"given":"Daniel A.","family":"Obenchain","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie und Elektrochemie Leibniz Universit\u00e4t Hannover  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