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Herein, the N\u2010heterocycles containing a benzene ring and aliphatic chain [<jats:italic>N<\/jats:italic>\u2010ethylcarbazole (NEC) and <jats:italic>N<\/jats:italic>\u2010propylcarbazole (NPC)] were utilized to study the correlation between interheteromolecular hyperconjugation and catalytic (de)hydrogenation. Density functional theory calculations, variable\u2010temperature <jats:sup>1<\/jats:sup>H nuclear magnetic resonance spectroscopy, and catalytic experiments showed that the presented hyperconjugation between NEC and NPC weakened the electron cloud density of aromatic rings and thus facilitated the reactivity with hydrogen featuring unpaired electrons. Therefore, an extremely low temperature of 80\u2009\u00b0C was enough for the hydrogenation. Moreover, this interheteromolecular hyperconjugation was general in other N\u2010heterocycles (e.\u2009g., <jats:italic>N<\/jats:italic>\u2010methyindole and NPC) and was also effective to (de)deuterate as revealed by isotope experiments. This work expands the application of interheteromolecular hyperconjugation to heterogeneous thermocatalysis for reversible H<jats:sub>2<\/jats:sub> storage.<\/jats:p>","DOI":"10.1002\/cssc.202201512","type":"journal-article","created":{"date-parts":[[2022,11,2]],"date-time":"2022-11-02T08:15:52Z","timestamp":1667376952000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Interheteromolecular Hyperconjugation Boosts (De)hydrogenation for Reversible H<sub>2<\/sub> Storage"],"prefix":"10.1002","volume":"16","author":[{"given":"Wenjie","family":"Xue","sequence":"first","affiliation":[{"name":"Key Laboratory of Material Chemistry for Energy Conversion and Storage Ministry of Education Hubei Key Laboratory of Material Chemistry and Service Failure School of Chemistry and Chemical Engineering Huazhong University of Science and Technology  Wuhan Hubei 430074 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