{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,11]],"date-time":"2025-11-11T13:39:11Z","timestamp":1762868351846,"version":"build-2065373602"},"reference-count":70,"publisher":"MDPI AG","issue":"23","license":[{"start":{"date-parts":[[2020,11,29]],"date-time":"2020-11-29T00:00:00Z","timestamp":1606608000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/00100\/2020","PTDC\/QUI-QIN\/29778\/2017","IST-ID\/086\/2018","IST-ID\/117\/2018"],"award-info":[{"award-number":["UIDB\/00100\/2020","PTDC\/QUI-QIN\/29778\/2017","IST-ID\/086\/2018","IST-ID\/117\/2018"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Peoples\u2019 Friendship University of Russia (RUDN University), Moscow, Russia","award":["Program \"5-100\""],"award-info":[{"award-number":["Program \"5-100\""]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>New Schiff base complexes [Cu2(HL1)(L1)(N3)3]\u22192H2O (1) and [Cu2L2(N3)2]\u2219H2O (2) were synthesized. The crystal structures of 1 and 2 were determined by single-crystal X-ray diffraction analysis. The HL1 ligand results from the condensation of salicylaldehyde and 1-(2-aminoethyl)piperazine, while a new organic ligand, H2L2, was formed by the dimerization of HL1 via a coupling of two piperazine rings of HL1 on a carbon atom coming from DMF solvent. The dinuclear building units in 1 and 2 are linked into complex supramolecular networks through hydrogen and coordination bondings, resulting in 2D and 1D architectures, respectively. Single-point and broken-symmetry DFT calculations disclosed negligible singlet\u2013triplet splittings within the dinuclear copper fragments in 1 and 2. Catalytic studies showed a remarkable activity of 1 and 2 towards cyclohexane oxidation with H2O2 in the presence of nitric acid and pyridine as promoters and under mild conditions (yield of products up to 21%). Coordination compound 1 also acts as an active catalyst in the intermolecular coupling of cyclohexane with benzamide using di-tert-butyl peroxide (tBuOOtBu) as a terminal oxidant. Conversion of benzamide at 55% was observed after 24 h reaction time. By-product patterns and plausible reaction mechanisms are discussed.<\/jats:p>","DOI":"10.3390\/ma13235435","type":"journal-article","created":{"date-parts":[[2020,11,29]],"date-time":"2020-11-29T21:00:57Z","timestamp":1606683657000},"page":"5435","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Novel H-Bonded Synthons in Copper Supramolecular Frameworks with Aminoethylpiperazine-Based Ligands. Synthesis, Structure and Catalytic Activity"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0114-6525","authenticated-orcid":false,"given":"Oksana V.","family":"Nesterova","sequence":"first","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8323-888X","authenticated-orcid":false,"given":"Armando J. L.","family":"Pombeiro","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1095-6888","authenticated-orcid":false,"given":"Dmytro S.","family":"Nesterov","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"},{"name":"Research Institute of Chemistry, Peoples\u2019 Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya st., 117198 Moscow, Russia"}]}],"member":"1968","published-online":{"date-parts":[[2020,11,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1016\/j.ccr.2015.06.008","article-title":"Multi-scale crystal engineering of metal organic frameworks","volume":"307","author":"Seoane","year":"2016","journal-title":"Coord. Chem. Rev."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"483","DOI":"10.1021\/acs.accounts.5b00530","article-title":"Metal-Organic Frameworks as Platforms for Functional Materials","volume":"49","author":"Cui","year":"2016","journal-title":"Acc. Chem. 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