{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T12:24:33Z","timestamp":1787228673604,"version":"build-2736575974"},"reference-count":30,"publisher":"American Chemical Society (ACS)","issue":"33","license":[{"start":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T00:00:00Z","timestamp":1786406400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T00:00:00Z","timestamp":1786406400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T00:00:00Z","timestamp":1786406400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,20]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Proton transfer is of fundamental importance in chemistry and biology, yet achieving precise control in confined environments remains challenging. In this work, we systematically investigate the encapsulation of NH3\u00b7HX complexes (X = F, Cl, Br) into chiral carbon nanotubes (CNT(6, m), m = 2\u20135) to elucidate how the nanoconfinement influence proton transfer behavior. The results indicate that CNT(6, 3) provides a suitable confinement size for NH3\u00b7HX, and that the encapsulation effect strongly depends on the halide species. In which, NH3\u00b7HCl undergoes a complete proton transfer to form NH4+Cl\u2013 inside the CNT(6, 3), as evidenced by significant elongation of the Ha\u2013Cl bond (from 1.38 to 1.86 \u00c5) and shortening of the N\u2013Ha bond (from 1.60 to 1.10 \u00c5). Energy decomposition analysis reveals that orbital interactions and dispersion are the dominant driving forces for the host\u2013guest interactions, with NH4+Cl\u2013@CNT(6, 3) exhibiting the strongest binding. Further chiral spectroscopic analyses (ECD and VCD) reveal that the composite systems exhibit pronounced mirror-symmetric optical responses. Notably, the absorption asymmetry factor |gabs| is significantly enhanced upon encapsulation (from 0.088 to 0.856) of NH3\u00b7HCl. The independent gradient model based on Hirshfeld partition (IGMH) analysis indicates that the three hydrogen atoms of NH3\u00b7HCl engage in N\u2013H\u00b7\u00b7\u00b7\u03c0 interactions with the inner wall of the nanotube, adopting a C3-symmetric arrangement\u2500a structural motif that proves crucial for the amplification of chiral signals. Our findings demonstrate that CNTs can act as efficient nanoreactors to modulate proton transfer through confinement and host\u2013guest interactions, and provide a theoretical foundation for the design of chiral nanomaterials for applications such as asymmetric catalysis.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c04444","type":"journal-article","created":{"date-parts":[[2026,8,11]],"date-time":"2026-08-11T11:02:11Z","timestamp":1786446131000},"page":"6609-6615","source":"Crossref","is-referenced-by-count":0,"title":["Proton Transfer\nand Chirality of Ammonia-HX (X = F,\nCl, Br) Complexes Confined in Carbon Nanotubes"],"prefix":"10.1021","volume":"130","author":[{"given":"Jia-Yu","family":"Wang","sequence":"first","affiliation":[{"name":"Northeast Normal University , , ,","place":["Changchun, People\u2019s Republic of China, 130024"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4416-3851","authenticated-orcid":true,"given":"Hong-Liang","family":"Xu","sequence":"additional","affiliation":[{"name":"Northeast Normal University , , ,","place":["Changchun, People\u2019s Republic of China, 130024"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,11]]},"reference":[{"issue":"3","key":"2026082007215441600_cit1","doi-asserted-by":"publisher","first-page":"1699","DOI":"10.1021\/acscatal.3c04818","article-title":"Photocatalytic\nConversion of Lipid to Diesel and Syngas via Engineering the Surface\nProton Transfer","volume":"14","author":"Chen","year":"2024","journal-title":"ACS Catal."},{"issue":"11","key":"2026082007215441600_cit2","doi-asserted-by":"publisher","first-page":"5104","DOI":"10.1021\/jacs.9b12250","article-title":"Electron\nand Proton Transfers Modulate\nDNA Binding by the Transcription Regulator RsrR","volume":"142","author":"Crack","year":"2020","journal-title":"J. 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