{"id":3372,"date":"2015-02-28T16:32:54","date_gmt":"2015-02-28T15:32:54","guid":{"rendered":"http:\/\/lewin.ch.pw.edu.pl\/?p=3372"},"modified":"2015-09-02T10:15:12","modified_gmt":"2015-09-02T09:15:12","slug":"3372","status":"publish","type":"post","link":"https:\/\/lewin.ch.pw.edu.pl\/?p=3372","title":{"rendered":"Experimental and Computational Insights into Fixation of CO2<\/sub> by RZn<\/small>OH Species"},"content":{"rendered":"
Chem. Eur. J.<\/i>, 2015<\/b>, 21<\/i>, 5496\u20135503.<\/div>\n
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Experimental and Computational Insights into Fixation of CO2<\/sub> by RZnOH Species<\/h1>\n<\/div>\n

Kamil Soko\u0142owski<\/a>,a<\/sup>\u00a0\u00a0 Wojciech Bury<\/a>,b<\/sup>\u00a0\u00a0 Adam Tulewicz<\/a>,b,c<\/sup>\u00a0\u00a0 Anna M. Cie\u015blak<\/a>,a<\/sup>\u00a0\u00a0 Iwona Justyniak<\/a>,a<\/sup>\u00a0\u00a0 Dominik Kubicki<\/a>,b<\/sup>\u00a0\u00a0 El\u017cbieta Krajewskab<\/sup>\u00a0 Anne Miletd<\/sup> Robert Moszy\u0144skic<\/sup> and\u00a0\u00a0 Janusz Lewi\u0144ski<\/a>*a<\/sup>b<\/sup><\/strong><\/p>\n

a\u00a0<\/sup>Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44\/52, 01-224 Warsaw, Poland<\/em>
\nb\u00a0<\/sup>Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland<\/em>
\nc\u00a0<\/sup>Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.<\/em>
\nd\u00a0<\/sup>D\u00e9partement de Chimie Mol\u00e9culaire, \u00e9quipes CIRE et CT, Universit\u00e9 Joseph Fourier UMR-CNRS 5250, ICMG FR-2607, BP 53, 38041 Grenoble Cedex 9, France.<\/em><\/p>\n

DOI: <\/strong> 10.1002\/chem.201406271
\nFirst published online 18 Feb 2015<\/p>\n

Organozinc hydroxides RZnOH... t<\/em>BuZnOH)6<\/sub><\/small>, possessing the proton-reactive alkylzinc group and the CO2<\/sub>-reactive Zn--OH group, represent an intriguing group of organometallic precursors for the synthesis of novel zinc carbonates. Comprehensive experimental and computational investigations on: 1)\u2005solution and solid-state behavior of t<\/sup>BuZnOH (1<\/b>) species in the presence of Lewis bases, namely, THF and 4-methylpyridine; 2)\u2005step-by-step sequence of the reaction between 1<\/b> and CO2<\/sub>; and 3)\u2005the effect of a donor ligand and\/or an excess of t<\/sup>Bu2<\/sub>Zn as an external proton acceptor on the reaction course are reported. DFT calculations for the insertion of carbon dioxide into the dinuclear alkylzinc hydroxide 12<\/b> are fully consistent with 1<\/sup>H\u2005NMR spectroscopy studies and indicate that this process is a multistep reaction, in which the insertion of CO2<\/sub> seems to be the rate-determining step. Moreover, DFT studies show that the mechanism of the rearrangement between key intermediates, that is, the primary alkylzinc bicarbonate with a proximal position of hydrogen and the secondary alkylzinc bicarbonate with a distal position of hydrogen, most likely proceeds through internal rotation of the dinuclear bicarbonate.<\/p>\n

\"chej2015_CO2\"<\/p>\n

Paper on Wiley Online Library website<\/a><\/p>\n

Full-text PDF<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

Chem. Eur. J., 2015, 21, 5496\u20135503.   Experimental and Computational Insights into Fixation of CO2 by RZnOH Species Kamil Soko\u0142owski,a\u00a0\u00a0 Wojciech Bury,b\u00a0\u00a0 Adam Tulewicz,b,c\u00a0\u00a0 Anna M. Cie\u015blak,a\u00a0\u00a0 Iwona Justyniak,a\u00a0\u00a0 Dominik Kubicki,b\u00a0\u00a0 El\u017cbieta Krajewskab\u00a0 Anne Miletd Robert Moszy\u0144skic and\u00a0\u00a0 Janusz Lewi\u0144ski*ab a\u00a0Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44\/52, 01-224 Warsaw, Poland b\u00a0Faculty of […]<\/p>\n","protected":false},"author":2,"featured_media":3431,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"inline_featured_image":false,"footnotes":""},"categories":[19],"tags":[],"class_list":["post-3372","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-paper"],"_links":{"self":[{"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/posts\/3372","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3372"}],"version-history":[{"count":17,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/posts\/3372\/revisions"}],"predecessor-version":[{"id":3650,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/posts\/3372\/revisions\/3650"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=\/wp\/v2\/media\/3431"}],"wp:attachment":[{"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3372"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=3372"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lewin.ch.pw.edu.pl\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=3372"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}