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oai:recercat.cat:10256/240022025-03-18T06:01:59Zcom_2072_452955com_2072_2054col_2072_453073

Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o-Carboryne as o-Carborene Poater i Teixidor, Jordi Viñas Teixidor, Clara Escayola Gordils, Sílvia Solà i Puig, Miquel Teixidor Bombardó, Francesc Agencia Estatal de Investigación Benzè Carborans Enllaços químics Benzene Carboranes Chemical bonds Aromaticitat (Química) Aromaticity (Chemistry) The homolytic elimination of two H atoms from two adjacent carbons in benzene results in the aromatic product o-benzyne. In a similar way, the homolytic elimination of two H atoms from the two adjacent carbons in 1,2-C2B10H12 results in the aromatic product o-carboryne. In this work, we provide experimental and computational evidences that despite the similarity of o-carboryne and o-benzyne, the nature of the C-C bond generated between two adjacent carbons that lose H atoms is different. While in o-benzyne the C-C bond behaves as a triple bond, in o-carboryne the C-C bond is a double bond. Therefore, we must stop naming o-carboryne to 1,2-dehydro-o-carborane but to call it o-carborene Ministerio de Ciencia e Innovación. Grant Numbers: PID2020-113711GB-I00, PID2019-106830GB-I00, PID2022-138861NB-I00, PID2019-106832RB-100, CEX2021-001202-M 2023-12-11 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion peer-reviewed http://hdl.handle.net/10256/24002 eng info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202302448 info:eu-repo/semantics/altIdentifier/issn/0947-6539 info:eu-repo/semantics/altIdentifier/eissn/1521-3765 info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-113711GB-I00/ES/DISEÑO Y SINTESIS DE FULLERENOS PARA LA CONSTRUCCION DE CELDAS SOLARES HIBRIDAS DE PEROVSKITA Y FULERENOS D ALTO RENDIMIENTO. UN ENFOQUE EXPERIMENTAL Y COMPUTACIONAL SINERGICO/ Reconeixement 4.0 Internacional http://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess application/pdf Wiley Chemistry-A European Journal, 2023, vol. 29, núm. 69, p. e202302448 Articles publicats (D-Q) Poater i Teixidor, Jordi Viñas, Clara scayola Gordils, Sílvia Solà i Puig, Miquel Teixidor Bombardó, Francesc 2023 Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o-Carboryne as o-Carborene Chemistry-A European Journal 29 69 e202302448