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