{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T19:39:03Z","timestamp":1760384343233,"version":"build-2065373602"},"reference-count":76,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2004,12,21]],"date-time":"2004-12-21T00:00:00Z","timestamp":1103587200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2005,1,21]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The capacity of the imido\u2010nitrido organometallic ligand [{Ti(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)(\u03bc\u2010NH)}<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)] (<jats:bold>1<\/jats:bold>) to entrap main group metal halides MX<jats:sub><jats:italic>n<\/jats:italic><\/jats:sub> has been investigated. Treatment of <jats:bold>1<\/jats:bold> with metal halides in toluene or dichloromethane afforded several soluble adducts [MX<jats:sub><jats:italic>n<\/jats:italic><\/jats:sub>(L)] (L=<jats:bold>1<\/jats:bold>) in good yields. The reaction of <jats:bold>1<\/jats:bold> with one equivalent of Group 1 and 13 monohalides MX afforded single cube\u2010type complexes [XM{(\u03bc<jats:sub>3<\/jats:sub>\u2010NH)<jats:sub>3<\/jats:sub>Ti<jats:sub>3<\/jats:sub>(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)}] (M=Li, X=Br (<jats:bold>2<\/jats:bold>), I (<jats:bold>3<\/jats:bold>); M=Na, X=I (<jats:bold>4<\/jats:bold>); M=In, X=I (<jats:bold>5<\/jats:bold>); M=Tl, X=I (<jats:bold>6<\/jats:bold>)). Analogous treatment of <jats:bold>1<\/jats:bold> with Group 2 and 14 dihalides MX<jats:sub>2<\/jats:sub> gave the corresponding adducts [I<jats:sub>2<\/jats:sub>M{(\u03bc<jats:sub>3<\/jats:sub>\u2010NH)<jats:sub>3<\/jats:sub>Ti<jats:sub>3<\/jats:sub>(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)}] (M=Mg (<jats:bold>7<\/jats:bold>), Ca (<jats:bold>8<\/jats:bold>), Sr (<jats:bold>9<\/jats:bold>)) and [Cl<jats:sub>2<\/jats:sub>M{(\u03bc<jats:sub>3<\/jats:sub>\u2010NH)<jats:sub>3<\/jats:sub>Ti<jats:sub>3<\/jats:sub>(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)}] (M=Sn (<jats:bold>10<\/jats:bold>), Pb (<jats:bold>11<\/jats:bold>)). The treatment of <jats:bold>1<\/jats:bold> with SnI<jats:sub>2<\/jats:sub> or the reaction of <jats:bold>10<\/jats:bold> with MeI at 60\u2009\u00b0C afforded two azametallocubane units linked by two bridging iodine atoms [{ISn(\u03bc<jats:sub>3<\/jats:sub>\u2010NH)<jats:sub>3<\/jats:sub>Ti<jats:sub>3<\/jats:sub>(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)}<jats:sub>2<\/jats:sub>(\u03bc\u2010I)<jats:sub>2<\/jats:sub>] (<jats:bold>12<\/jats:bold>). Indium triiodide reacted with <jats:bold>1<\/jats:bold> in toluene to form the adduct [I<jats:sub>3<\/jats:sub>In(\u03bc<jats:sub>3<\/jats:sub>\u2010NH)<jats:sub>3<\/jats:sub>Ti<jats:sub>3<\/jats:sub>(\u03b7<jats:sup>5<\/jats:sup>\u2010C<jats:sub>5<\/jats:sub>Me<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub>(\u03bc<jats:sub>3<\/jats:sub>\u2010N)] (<jats:bold>13<\/jats:bold>). Density functional theory calculations have been carried out to study these processes and evaluate the influence of the solvent. X\u2010ray crystal structure determinations have been performed for complexes <jats:bold>10<\/jats:bold>, <jats:bold>12<\/jats:bold>, and <jats:bold>13<\/jats:bold>.<\/jats:p>","DOI":"10.1002\/chem.200400553","type":"journal-article","created":{"date-parts":[[2004,12,21]],"date-time":"2004-12-21T11:02:57Z","timestamp":1103626977000},"page":"1030-1041","source":"Crossref","is-referenced-by-count":34,"title":["Synthetic and Theoretical Study of the Incorporation of Metal Halides in [{Ti(\u03b7<sup>5<\/sup>\u2010C<sub>5<\/sub>Me<sub>5<\/sub>)(\u03bc\u2010NH)}<sub>3<\/sub>(\u03bc<sub>3<\/sub>\u2010N)]"],"prefix":"10.1002","volume":"11","author":[{"given":"Mar\u00eda","family":"Garc\u00eda\u2010Castro","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9","family":"Gracia","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Avelino","family":"Mart\u00edn","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Miguel","family":"Mena","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Josep\u2010M.","family":"Poblet","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Pedro","family":"Sarasa","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carlos","family":"Y\u00e9lamos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2005,1,18]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.19891010628"},{"key":"e_1_2_6_1_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198907541"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic9907718"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3757(20000204)112:3<544::AID-ANGE544>3.0.CO;2-N"},{"key":"e_1_2_6_3_3","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(20000204)39:3<534::AID-ANIE534>3.0.CO;2-3"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3757(20001002)112:19<3602::AID-ANGE3602>3.0.CO;2-3"},{"key":"e_1_2_6_4_3","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3773(20001002)39:19<3460::AID-ANIE3460>3.0.CO;2-Y"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3765(20010202)7:3<647::AID-CHEM647>3.0.CO;2-A"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3765(20010903)7:17<3644::AID-CHEM3644>3.0.CO;2-9"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/om020379t"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200204593"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic035493y"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/om030554l"},{"key":"e_1_2_6_11_2","unstructured":"For alkali\u2010metal halide complexes see:"},{"key":"e_1_2_6_12_2","first-page":"35","volume-title":"Encyclopedia of Inorganic Chemistry","author":"Mair F. R.","year":"1994"},{"key":"e_1_2_6_13_2","first-page":"1","volume-title":"Comprehensive Coordination Chemistry II","author":"Hanusa T. P.","year":"2004"},{"key":"e_1_2_6_14_2","unstructured":"For examples of entrapment of MXnmolecules generated in situ by donor ligands see:"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00168a049"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.1039\/dt9880000987"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00061a071"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1039\/b010093p"},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic001175c"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1021\/om0207818"},{"key":"e_1_2_6_21_2","unstructured":"For examples of entrapment of MXnmolecules by ligands indirect reactions see:"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0277-5387(00)87147-8"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1039\/DT9880000991"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00300a037"},{"key":"e_1_2_6_25_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic000785"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1039\/b314707j"},{"key":"e_1_2_6_27_2","unstructured":"\u00a0"},{"key":"e_1_2_6_28_2","doi-asserted-by":"publisher","DOI":"10.1039\/C39840000079"},{"key":"e_1_2_6_29_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00259a053"},{"key":"e_1_2_6_30_2","doi-asserted-by":"publisher","DOI":"10.1039\/C39890000318"},{"key":"e_1_2_6_31_2","doi-asserted-by":"publisher","DOI":"10.1039\/C39890000893"},{"key":"e_1_2_6_32_2","unstructured":"NMR data for [ClIn{(\u03bc3\u2010NH)3Ti3(\u03b75\u2010C5Me5)3(\u03bc3\u2010N)}]:1H NMR (300 MHz C6D6 20\u2009\u00b0C TMS):\u03b4=13.60 (s br. 3\u2009H; NH) 2.00 ppm (s 45\u2009H; C5Me5);13C{1H} NMR (75 MHz C6D6 20\u2009\u00b0C TMS):\u03b4=117.6 (C5Me5) 11.9 ppm (C5Me5)."},{"key":"e_1_2_6_33_2","doi-asserted-by":"publisher","DOI":"10.1039\/B315503J"},{"key":"e_1_2_6_34_2","first-page":"34","volume":"46","author":"Spek A. L.","year":"1990","journal-title":"Acta Crystallogr. Sect. A"},{"key":"e_1_2_6_35_2","unstructured":"Similar long\u2010distance Sn\u22c5\u22c5\u22c5Sn interactions can be calculated with the program Conquest for:"},{"key":"e_1_2_6_36_2","doi-asserted-by":"publisher","DOI":"10.1002\/cber.19881210222"},{"key":"e_1_2_6_37_2","doi-asserted-by":"publisher","DOI":"10.1021\/jo980057s"},{"key":"e_1_2_6_38_2","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1524\/ncrs.1998.213.14.435","volume":"213","author":"Kuhn N.","year":"1998","journal-title":"Z. Kristallogr. New Cryst. 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