{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T15:04:06Z","timestamp":1761491046119,"version":"build-2065373602"},"reference-count":39,"publisher":"Wiley","issue":"24","license":[{"start":{"date-parts":[[2020,11,24]],"date-time":"2020-11-24T00:00:00Z","timestamp":1606176000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2020,12,14]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Isolated Be<jats:sub>2<\/jats:sub> is a typical example of a weakly bound system, but interaction with other systems may give rise to surprising bonding features. The interactions between Be<jats:sub>2<\/jats:sub> and a set of selected neutral C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub> (n=2\u20138) \u03c0\u2010systems have been analyzed through the use of G4 and G4MP2 ab\u2005initio methods, along with multireference CASPT2\/\/CASPT2 calculations. Our results systematically show that the C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub>\u2212Be<jats:sub>2<\/jats:sub>\u2212C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub> clusters formed are always very stable. However, the nature of this interaction is completely different when the \u03c0\u2010system involved is a closed shell species (n=2, 4, 6, 8), or a radical (n=3, 5, 7). In the first case, the interaction does not occur with the \u03c0\u2010system as a whole, but with specific C centers yielding rather polar but strong C\u2212Be bonds. Nonetheless, although the Be\u2212Be distances in these complexes are similar to the ones in compounds with ultra\u2010strong Be\u2212Be bonds, a close examination of their electron density distribution reveals that no Be\u2212Be bonds exist. The situation is totally different when the interaction involves two \u03c0\u2010radicals, C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub>\u2212Be<jats:sub>2<\/jats:sub>\u2212C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub> (n=3, 5, 7). In these cases, a strong Be\u2212Be bond is formed. Indeed, even though Be is electron deficient, the Be<jats:sub>2<\/jats:sub> moiety behaves as an efficient electron donor towards the two \u03c0\u2010radicals, so that the different C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub>\u2212Be<jats:sub>2<\/jats:sub>\u2212C<jats:sub>n<\/jats:sub>H<jats:sub>n<\/jats:sub> (n=3, 5, 7) clusters are the result of the interaction between Be<jats:sub>2<\/jats:sub><jats:sup>2+<\/jats:sup> and two L<jats:sup>\u2212<\/jats:sup> anions. The characteristics of these two scenarios do not change when dealing with bicyclic \u03c0\u2010compounds, such as naphthalene and pentalene, because the interaction with the Be<jats:sub>2<\/jats:sub> moiety is localized on one of the unsaturated cycles, the other being almost a spectator.<\/jats:p>","DOI":"10.1002\/cphc.202000412","type":"journal-article","created":{"date-parts":[[2020,6,29]],"date-time":"2020-06-29T15:00:35Z","timestamp":1593442835000},"page":"2701-2708","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["From Very Strong to Inexistent Be\u2212Be Bonds in the Interactions of Be<sub>2<\/sub> with \u03c0\u2010Systems"],"prefix":"10.1002","volume":"21","author":[{"given":"Eva","family":"Vos","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica Facultad de Ciencias, M\u00f3dulo 13 and Institute of Advanced Chemical Sciences (IadChem) Universidad Aut\u00f3noma de Madrid Campus de Excelencia UAM-CSIC Cantoblanco  28049 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M. Merced","family":"Montero\u2010Campillo","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Facultad de Ciencias, M\u00f3dulo 13 and Institute of Advanced Chemical Sciences (IadChem) Universidad Aut\u00f3noma de Madrid Campus de Excelencia UAM-CSIC Cantoblanco  28049 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"In\u00e9s","family":"Corral","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Facultad de Ciencias, M\u00f3dulo 13 and Institute of Advanced Chemical Sciences (IadChem) Universidad Aut\u00f3noma de Madrid Campus de Excelencia UAM-CSIC Cantoblanco  28049 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manuel","family":"Y\u00e1\u00f1ez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Facultad de Ciencias, M\u00f3dulo 13 and Institute of Advanced Chemical Sciences (IadChem) Universidad Aut\u00f3noma de Madrid Campus de Excelencia UAM-CSIC Cantoblanco  28049 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ibon","family":"Alkorta","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC)  Juan de la Cierva, 3 28006 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9","family":"Elguero","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC)  Juan de la Cierva, 3 28006 Madrid Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2020,11,24]]},"reference":[{"key":"e_1_2_7_1_1","unstructured":"\u00a0"},{"key":"e_1_2_7_2_2","first-page":"84","volume":"15","author":"Williams W. 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