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In \u03b2\u2010\n                    <jats:bold>1<\/jats:bold>\n                    the radical moieties adopt\n                    <jats:italic>transoid<\/jats:italic>\n                    positions, whereas two different\n                    <jats:italic>cisoid<\/jats:italic>\n                    conformations are adopted by \u03b1\u2010\n                    <jats:bold>2<\/jats:bold>\n                    and \u03b2\u2010\n                    <jats:bold>2<\/jats:bold>\n                    . These conformations result from inter\u2010 and intramolecular hydrogen bonds, respectively. All compounds experience antiferromagnetic interactions, and\n                    <jats:italic>J<\/jats:italic>\n                    \/\n                    <jats:italic>k<\/jats:italic>\n                    <jats:sub>B<\/jats:sub>\n                    values up to \u22127 K have been found by fitting the experimental magnetic susceptibilities to a modified Bleaney\u2013Bowers equation. The solid diradicals \u03b1\u2010\n                    <jats:bold>1<\/jats:bold>\n                    , \u03b2\u2010\n                    <jats:bold>1<\/jats:bold>\n                    , \u03b1\u2010\n                    <jats:bold>2<\/jats:bold>\n                    , and \u03b2\u2010\n                    <jats:bold>2<\/jats:bold>\n                    as well as the ferrocene\n                    <jats:bold>3<\/jats:bold>\n                    , which was substituted by a unique nitronyl nitroxide, were investigated by\n                    <jats:sup>13<\/jats:sup>\n                    C and\n                    <jats:sup>1<\/jats:sup>\n                    H NMR spectroscopy with magic angle spinning. The carbon signals cover a range of 2000 ppm, and are well resolved such that the structure could be confirmed. Conversion of the signal shifts into spin densities disclosed the mechanisms by which spin delocalization from the nitronyl nitroxide substituents to the metallocene core occurs. The spin density distribution in \u03b1\u2010\n                    <jats:bold>1<\/jats:bold>\n                    , \u03b2\u2010\n                    <jats:bold>1<\/jats:bold>\n                    , and\n                    <jats:bold>3<\/jats:bold>\n                    was also predicted by DFT calculations. There is good agreement between the experimental and theoretical trends of the spin delocalization. The magnetic interactions were discussed in the light of intramolecular spin transfer and its dependence on geometric constraints, demonstrating that the 1,1\u2032\u2010metallocenylene bridge is not a robust magnetic coupler.\n                  <\/jats:p>","DOI":"10.1002\/chem.200305349","type":"journal-article","created":{"date-parts":[[2004,3,19]],"date-time":"2004-03-19T10:59:22Z","timestamp":1079693962000},"page":"1355-1365","source":"Crossref","is-referenced-by-count":23,"title":["Magneto\u2010Structural Characterization of Metallocene\u2010Bridged Nitronyl Nitroxide Diradicals by X\u2010Ray, Magnetic Measurements, Solid\u2010state NMR Spectroscopy, and Ab Initio Calculations"],"prefix":"10.1002","volume":"10","author":[{"given":"Christian","family":"Sporer","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Henrike","family":"Heise","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Klaus","family":"Wurst","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Ruiz\u2010Molina","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Holger","family":"Kopacka","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peter","family":"Jaitner","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Frank","family":"K\u00f6hler","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Juan J.","family":"Novoa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jaume","family":"Veciana","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2004,3,15]]},"reference":[{"key":"e_1_2_6_1_2","unstructured":"For a collection of reviews on high\u2010spin organic molecules see:"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1557\/mrs2000.223"},{"key":"e_1_2_6_3_2","volume-title":"Magnetic Properties of Organic Materials","year":"1999"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.19941060405"},{"key":"e_1_2_6_4_3","first-page":"385","year":"1994","journal-title":"Angew. 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