{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T01:01:10Z","timestamp":1759971670319,"version":"build-2065373602"},"reference-count":25,"publisher":"Wiley","issue":"22","license":[{"start":{"date-parts":[[2023,10,24]],"date-time":"2023-10-24T00:00:00Z","timestamp":1698105600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100005808","name":"Indian Institute of Technology Bombay","doi-asserted-by":"publisher","award":["Rect\/34\/2023"],"award-info":[{"award-number":["Rect\/34\/2023"]}],"id":[{"id":"10.13039\/501100005808","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002781","name":"University of Calcutta","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002781","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["aces.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry \u0097 An Asian Journal"],"published-print":{"date-parts":[[2023,11,16]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Two Zn(II)\u2010based compounds, [Zn<jats:sub>2<\/jats:sub>L<jats:sup>1<\/jats:sup>(OAc)<jats:sub>3<\/jats:sub>(MeOH)] (<jats:bold>1<\/jats:bold>) and [Zn<jats:sub>2<\/jats:sub>L<jats:sup>2<\/jats:sup>(OAc)<jats:sub>3<\/jats:sub>]<jats:sub>n<\/jats:sub> (<jats:bold>2<\/jats:bold>), have been reported where HL<jats:sup>1<\/jats:sup> is (E)\u20104\u2010bromo\u20102\u2010methoxy\u20106\u2010(((2\u2010morpholino ethyl)imino) methyl)phenol and HL<jats:sup>2<\/jats:sup> is (E)\u20104\u2010bromo\u20102\u2010methoxy\u20106\u2010(((2\u2010(piperazine\u20101\u2010yle)ethyl)imino)methyl) phenol. Single\u2010crystal X\u2010ray diffraction (SCXRD) analysis unveils vivid change in structural arrangements and dimensionality from <jats:bold>1<\/jats:bold> to <jats:bold>2<\/jats:bold> due to change in coordinated atom from oxygen to nitrogen of the ligands. SCXRD study shows that compound <jats:bold>1<\/jats:bold> is dinuclear but compound <jats:bold>2<\/jats:bold> has a 1\u2010dimensional polymeric structure having helical chain. Structural diversity greatly influences the catalytic activity. Compound <jats:bold>1<\/jats:bold> acts as excellent catalyst for conversion of 3, 5\u2010di\u2010tert\u2010butyl catechol (3, 5\u2010DTBC) to 3, 5\u2010di\u2010tert\u2010butylbenzoquinone (3, 5\u2010DTBQ) with the turnover number (k<jats:sub>cat<\/jats:sub>) value of 34.94\u2005sec<jats:sup>\u22121<\/jats:sup>. Further, compound <jats:bold>1<\/jats:bold> reveals phosphatase like activity for conversion of disodium salt of (4\u2010nitrophenyl)\u2010phosphate hexahydrate to p\u2010nitrophenolate with the k<jats:sub>cat<\/jats:sub> value of 24.64\u2005sec<jats:sup>\u22121<\/jats:sup>. Interestingly, compound <jats:bold>2<\/jats:bold> does not show any catalytic activity. To correlate this distinctly different catalytic behavior of two compounds, DFT calculation was carried out. The calculation reveals that detachment of coordinated methanol from coordination sphere of zinc in compound <jats:bold>1<\/jats:bold> is energetically favourable which creates room for substrate binding, resulting in high catalytic activity. By contrast, in compound <jats:bold>2<\/jats:bold>, detachment of piperazine or Zn\u2212O of \u2013COOH group is energetically unfavourable, resulting in no catalytic activity.<\/jats:p>","DOI":"10.1002\/asia.202300654","type":"journal-article","created":{"date-parts":[[2023,10,11]],"date-time":"2023-10-11T06:23:29Z","timestamp":1697005409000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Role of Labile Methanol on the Bio\u2010inspired Catalytic Activity of a Zn(II)\u2010based Compound: An Experimental and Theoretical Investigation"],"prefix":"10.1002","volume":"18","author":[{"given":"Abani","family":"Sarkar","sequence":"first","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Bombay  Mumbai 400076 India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arnab","family":"Mandal","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Guwahati  Guwahati 781039 India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1435-4585","authenticated-orcid":false,"given":"Amit","family":"Adhikary","sequence":"additional","affiliation":[{"name":"Department of Chemistry Technology Campus University of Calcutta  JD Block, Sector III, Salt Lake Kolkata 700098 India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tonmoy","family":"Chakraborty","sequence":"additional","affiliation":[{"name":"Department of Chemistry University College of Science University of Calcutta  92\u2005A. 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