{"id":3670,"date":"2011-03-09T13:54:28","date_gmt":"2011-03-09T13:54:28","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=3670"},"modified":"2011-03-09T13:54:28","modified_gmt":"2011-03-09T13:54:28","slug":"from-the-colour-blue-to-molecular-wires","status":"publish","type":"post","link":"https:\/\/www.rzepa.net\/blog\/?p=3670","title":{"rendered":"From the colour blue to molecular wires"},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"3670\">\n<p>In the <a href=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=3641\" target=\"_blank\">previous post<\/a> I pondered the colour of Monastral blue (copper phthalocyanine). Something did not quite fit, and so I speculated that perhaps some oxidation of the pigment might give a new species. This species (Cambridge code <a href=\"http:\/\/dx.doi.org\/10.1021\/ja00238a021\" target=\"_blank\">FEGJOQ<\/a>) comprises two parts of copper phthalocyanine, 1 part of the corresponding cation, and 1 part of triodide anion. Looking at the packing of this system, I spotted something <a href=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=439\" target=\"_blank\">I had seen<\/a> some time ago in NaI<sub>2<\/sub>.Acetone, namely an infinitely long and absolutely straight chain of iodine atoms, a molecular wire if you like.<\/p>\n<div id=\"attachment_3673\" style=\"width: 323px\" class=\"wp-caption aligncenter\"><a href=\"https:\/\/i0.wp.com\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ2.jpg\"><img data-recalc-dims=\"1\" loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3673\" data-attachment-id=\"3673\" data-permalink=\"https:\/\/www.rzepa.net\/blog\/?attachment_id=3673\" data-orig-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ2.jpg?fit=616%2C646&amp;ssl=1\" data-orig-size=\"616,646\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;}\" data-image-title=\"FEGJOQ2\" data-image-description=\"\" data-image-caption=\"&lt;p&gt;An iodine molecular wire. Click for  3D&lt;\/p&gt;\n\" data-medium-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ2.jpg?fit=286%2C300&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ2.jpg?fit=450%2C472&amp;ssl=1\" class=\"size-full wp-image-3673\" title=\"FEGJOQ2\" src=\"https:\/\/i0.wp.com\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ2.jpg?resize=313%2C323\" alt=\"\" width=\"313\" height=\"323\" \/><\/a><p id=\"caption-attachment-3673\" class=\"wp-caption-text\">An iodine molecular wire.<\/p><\/div>\n<p>A different view shows how this wire runs down layers of the phthalocyanine. The iodines are 3.2\u00c5 apart, compared to the sum of their van der  Waals radii of  ~4.0\u00c5.<\/p>\n<p><div id=\"attachment_3675\" style=\"width: 277px\" class=\"wp-caption aligncenter\"><img data-recalc-dims=\"1\" loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3675\" data-attachment-id=\"3675\" data-permalink=\"https:\/\/www.rzepa.net\/blog\/?attachment_id=3675\" data-orig-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?fit=1337%2C586&amp;ssl=1\" data-orig-size=\"1337,586\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;}\" data-image-title=\"FEGJOQ1\" data-image-description=\"\" data-image-caption=\"&lt;p&gt;FEGJOQ, seen edge on&lt;\/p&gt;\n\" data-medium-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?fit=300%2C131&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?fit=450%2C197&amp;ssl=1\" class=\"size-full wp-image-3675\" title=\"FEGJOQ1\" onclick=\"jmolInitialize('..\/Jmol\/');jmolSetAppletColor('white');jmolApplet([500,500],'load wp-content\/uploads\/2011\/03\/FEGJOQ1.cif;zoom 100;spin 3;');\" src=\"https:\/\/i0.wp.com\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?resize=267%2C117\" alt=\"\" width=\"267\" height=\"117\" srcset=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?w=1337&amp;ssl=1 1337w, https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?resize=300%2C131&amp;ssl=1 300w, https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?resize=1024%2C448&amp;ssl=1 1024w, https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ1.jpg?w=900&amp;ssl=1 900w\" sizes=\"auto, (max-width: 267px) 100vw, 267px\" \/><p id=\"caption-attachment-3675\" class=\"wp-caption-text\">FEGJOQ, seen edge on. Click for  3D<\/p><\/div>Four phthalocyanines stack to form a cavity for the iodine wire to run down, and the size of that cavity is perfectly filled by the iodine! One might speculate if a smaller halogen, with lots more space to rattle around it, might not form this structure!<\/p>\n<p>&nbsp;<\/p>\n<div id=\"attachment_3677\" style=\"width: 298px\" class=\"wp-caption aligncenter\"><img data-recalc-dims=\"1\" loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3677\" data-attachment-id=\"3677\" data-permalink=\"https:\/\/www.rzepa.net\/blog\/?attachment_id=3677\" data-orig-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?fit=865%2C863&amp;ssl=1\" data-orig-size=\"865,863\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;}\" data-image-title=\"FEGJOQ4\" data-image-description=\"\" data-image-caption=\"&lt;p&gt;End on view, showing the filling of the channel by iodines&lt;\/p&gt;\n\" data-medium-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?fit=300%2C300&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?fit=450%2C449&amp;ssl=1\" class=\"size-full wp-image-3677\" title=\"FEGJOQ4\" onclick=\"jmolInitialize('..\/Jmol\/');jmolSetAppletColor('white');jmolApplet([500,500],'load wp-content\/uploads\/2011\/03\/FEGJOQ3.cif;zoom 100;spin 3;');\" src=\"https:\/\/i0.wp.com\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?resize=288%2C288\" alt=\"\" width=\"288\" height=\"288\" srcset=\"https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?w=865&amp;ssl=1 865w, https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?resize=150%2C150&amp;ssl=1 150w, https:\/\/i0.wp.com\/www.rzepa.net\/blog\/wp-content\/uploads\/2011\/03\/FEGJOQ4.jpg?resize=300%2C300&amp;ssl=1 300w\" sizes=\"auto, (max-width: 288px) 100vw, 288px\" \/><p id=\"caption-attachment-3677\" class=\"wp-caption-text\">End on view, showing the filling of the channel by iodines. Click for  3D<\/p><\/div>\n<!-- kcite active, but no citations found -->\n<\/div> <!-- kcite-section 3670 -->","protected":false},"excerpt":{"rendered":"<p>In the previous post I pondered the colour of Monastral blue (copper phthalocyanine). Something did not quite fit, and so I speculated that perhaps some oxidation of the pigment might give a new species. This species (Cambridge code FEGJOQ) comprises two parts of copper phthalocyanine, 1 part of the corresponding cation, and 1 part of [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[6],"tags":[59,456,459],"class_list":["post-3670","post","type-post","status-publish","format-standard","hentry","category-interesting-chemistry","tag-cambridge","tag-molecular-wire","tag-phthalocyanine"],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/p1gPyz-Xc","jetpack_likes_enabled":true,"_links":{"self":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts\/3670","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3670"}],"version-history":[{"count":0,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=\/wp\/v2\/posts\/3670\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3670"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=3670"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.rzepa.net\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=3670"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}