{"id":1800,"date":"2019-09-05T07:33:06","date_gmt":"2019-09-05T07:33:06","guid":{"rendered":"http:\/\/grupodeespectroscopia.es\/MW\/?p=1800"},"modified":"2019-10-07T13:25:55","modified_gmt":"2019-10-07T13:25:55","slug":"our-research-about-1h%e2%80%90indazole-has-been-accepted-by-the-chemistry-a-european-journal","status":"publish","type":"post","link":"https:\/\/grupodeespectroscopia.es\/MW\/our-research-about-1h%e2%80%90indazole-has-been-accepted-by-the-chemistry-a-european-journal\/","title":{"rendered":"Our research about 1H\u2010Indazole has been published in the Chemistry-A European Journal"},"content":{"rendered":"<p>Bond length alternation is a chemical phenomenon in benzene rings fused to other rings, which has been mainly predicted theoretically. Its physical origin is still not clear and has generated discussion. Here, by using a strategy that combines microwave spectroscopy, custom\u2010made synthesis and high\u2010level ab initio calculations, we demonstrate that this phenomenon is clearly observed in the prototype indazole molecule isolated in the gas phase. The 1H\u2010indazole conformer was detected by rotational spectroscopy, and its 17 isotopologues resulting from single and double heavy atom substitution (<sup>13<\/sup>C and <sup>15<\/sup>N) were also unambiguously observed. Several experimental structures were determined and, in particular, the most useful semi\u2010experimental equilibrium structure (r<sub>e<\/sub><sup>SE<\/sup>), allowed determination of the heavy atom bond lengths to milli\u2010\u00c5ngstrom precision. The experimentally determined bond length alternation is estimated to correspond to 60:40 contributions from the two resonant forms of 1H\u2010indazole.<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"aligncenter size-full wp-image-1802\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2019\/09\/Indazol-2.jpg\" alt=\"\" width=\"590\" height=\"248\" srcset=\"https:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2019\/09\/Indazol-2.jpg 590w, https:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2019\/09\/Indazol-2-300x126.jpg 300w\" sizes=\"(max-width: 590px) 100vw, 590px\" \/><br \/>\nThis paper has been accepted by the <strong>Chemistry-A European Journal.<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Bond length alternation is a chemical phenomenon in benzene rings fused to other rings, which has been mainly predicted theoretically. Its physical origin is still not clear and has generated discussion. Here, by using a strategy that combines microwave spectroscopy, custom\u2010made synthesis and high\u2010level ab initio calculations, we demonstrate that this phenomenon is clearly observed &hellip;<\/p>\n","protected":false},"author":1,"featured_media":1802,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[22,1,29],"tags":[],"acf":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/posts\/1800"}],"collection":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/comments?post=1800"}],"version-history":[{"count":3,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/posts\/1800\/revisions"}],"predecessor-version":[{"id":1806,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/posts\/1800\/revisions\/1806"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/media\/1802"}],"wp:attachment":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/media?parent=1800"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/categories?post=1800"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/tags?post=1800"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}