000136385 001__ 136385 000136385 005__ 20250923084426.0 000136385 0247_ $$2doi$$a10.1021/acs.cgd.4c00538 000136385 0248_ $$2sideral$$a139213 000136385 037__ $$aART-2024-139213 000136385 041__ $$aeng 000136385 100__ $$aVelasquez, Juan D. 000136385 245__ $$aUnveiling the Potential of Haloalkenes as Electron Density Acceptors 000136385 260__ $$c2024 000136385 5060_ $$aAccess copy available to the general public$$fUnrestricted 000136385 5203_ $$aWe report herein, by means of structural and computational analyses, a comprehensive study of the capability of differently substituted haloalkenes to behave as electron density acceptors in noncovalent interactions. The nature of these interactions between haloalkenes and Lewis bases highly depends on the number and nature of the halogen atoms bound to the carbon–carbon double bond. When hydrogen bonds, which generally dominate for mono- and dihaloalkenes, cannot be formed, we observe the establishment of attractive interactions in which an sp2 carbon atom, belonging to an acyclic C═C double bond, plays the role of the Lewis acid via its π* antibonding orbital. 000136385 536__ $$9info:eu-repo/grantAgreement/ES/AEI/PID2022-140244NB-I00$$9info:eu-repo/grantAgreement/ES/DGA/E07-23R$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-122763NB-I00$$9info:eu-repo/grantAgreement/ES/MICINN/RYC-2017-22853 000136385 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/ 000136385 590__ $$a3.4$$b2024 000136385 592__ $$a0.633$$b2024 000136385 591__ $$aCRYSTALLOGRAPHY$$b5 / 31 = 0.161$$c2024$$dQ1$$eT1 000136385 593__ $$aChemistry (miscellaneous)$$c2024$$dQ2 000136385 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b100 / 239 = 0.418$$c2024$$dQ2$$eT2 000136385 593__ $$aMaterials Science (miscellaneous)$$c2024$$dQ2 000136385 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b224 / 460 = 0.487$$c2024$$dQ2$$eT2 000136385 593__ $$aCondensed Matter Physics$$c2024$$dQ2 000136385 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000136385 700__ $$aKeshtkar, Noushin 000136385 700__ $$0(orcid)0000-0001-5823-7965$$aPolo, Víctor$$uUniversidad de Zaragoza 000136385 700__ $$0(orcid)0000-0001-6089-6126$$aMunárriz, Julen$$uUniversidad de Zaragoza 000136385 700__ $$aEcheverría, Jorge$$uUniversidad de Zaragoza 000136385 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica 000136385 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física 000136385 773__ $$g24, 13 (2024), 5775-5780$$pCryst. growth des.$$tCRYSTAL GROWTH & DESIGN$$x1528-7483 000136385 8564_ $$s3200456$$uhttps://zaguan.unizar.es/record/136385/files/texto_completo.pdf$$yVersión publicada 000136385 8564_ $$s2875463$$uhttps://zaguan.unizar.es/record/136385/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000136385 909CO $$ooai:zaguan.unizar.es:136385$$particulos$$pdriver 000136385 951__ $$a2025-09-22-14:40:01 000136385 980__ $$aARTICLE