{"id":8337,"date":"2012-11-20T08:27:47","date_gmt":"2012-11-20T08:27:47","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=8337"},"modified":"2012-11-20T16:26:56","modified_gmt":"2012-11-20T16:26:56","slug":"a-chiral-molecular-wire","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337","title":{"rendered":"A chiral molecular wire."},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"8337\">\n<p>More than 60 million molecules are known, and many are fascinating. But beauty is in the eye of the beholder. Thus it was that I came across the attached molecule<span id=\"cite_ITEM-8337-0\" name=\"citation\"><a href=\"#ITEM-8337-0\">[1]<\/a><\/span>. It struck me immediately as, well, beautiful!<\/p>\n<div id=\"attachment_8338\" style=\"width: 305px\" class=\"wp-caption aligncenter\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-8338\" class=\"size-full wp-image-8338\" title=\"GOCTOH\" onclick=\"jmolInitialize('..\/Jmol\/');jmolSetAppletColor('white');jmolApplet([800,800],'load wp-content\/uploads\/2012\/11\/GOCTOH-D4.mol2;measure 3 4;measure 3 2;');\" src=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg\" alt=\"\" width=\"295\" height=\"296\" \/><p id=\"caption-attachment-8338\" class=\"wp-caption-text\">GOCTOH. Click for 3D.<\/p><\/div>\n<p>This is one that comes to life in 3D and I strongly urge you to inspect it as such by clicking on the above. Why is it so interesting? Well, it has as its backbone a linear array of seven Nickel atoms. The Ni&#8230;Ni distances are around 2.2-2.3\u00c5, and this &#8220;wire&#8221; is wrapped with a square planar arrangement of nitrogen atoms deriving from the ligand.<\/p>\n<p>But that is not just where I perceived its beauty. The molecule has D<sub>4<\/sub> symmetry, and is therefore dissymetric (chiral). The ligands wrap themselves around the metal wire in a helical arrangement. Oddly, the original authors who reported this lovely molecule make little (nothing?) of this aspect. Can it be resolved for example? Can it recognise other chiral molecules? What are its chiroptical properties (optical rotation, circular dichroism spectra etc)? Anyway enough from me; just go and enjoy this gem!\u00a0<\/p>\n<p><script type=\"text\/javascript\">\/\/ < ![CDATA[\nvar transformBallAndStick2 = new ChemDoodle.TransformCanvas3D('transformBallAndStick2', 450, 450);         transformBallAndStick2.specs.set3DRepresentation('Ball and Stick');         transformBallAndStick2.specs.backgroundColor = 'red';         var molFile = httpGet( 'wp-content\/uploads\/2012\/11\/GOCTOH-D4.mol' );         var molecule = ChemDoodle.readMOL(molFile, 2);         transformBallAndStick2.loadMolecule(molecule);\n\/\/ ]]><\/script><\/p>\n<h2>References<\/h2>\n    <ol class=\"kcite-bibliography csl-bib-body\"><li id=\"ITEM-8337-0\">S. Lai, T. Lin, Y. Chen, C. Wang, G. Lee, M. Yang, M. Leung, and S. Peng, \"Metal String Complexes:\u2009 Synthesis and Crystal Structure of [Ni&lt;sub&gt;4&lt;\/sub&gt;(\u03bc&lt;sub&gt;4&lt;\/sub&gt;-phdpda)&lt;sub&gt;4&lt;\/sub&gt;] and [Ni&lt;sub&gt;7&lt;\/sub&gt;(\u03bc&lt;sub&gt;7&lt;\/sub&gt;-teptra)&lt;sub&gt;4&lt;\/sub&gt;Cl&lt;sub&gt;2&lt;\/sub&gt;] (H&lt;sub&gt;2&lt;\/sub&gt;phdpda = &lt;i&gt;N&lt;\/i&gt;-Phenyldipyridyldiamine and H&lt;sub&gt;3&lt;\/sub&gt;teptra = Tetrapyridyltriamine)\", <i>Journal of the American Chemical Society<\/i>, vol. 121, pp. 250-251, 1998. <a href=\"https:\/\/doi.org\/10.1021\/ja982065w\">https:\/\/doi.org\/10.1021\/ja982065w<\/a>\n\n<\/li>\n<\/ol>\n\n<\/div> <!-- kcite-section 8337 -->","protected":false},"excerpt":{"rendered":"<p>More than 60 million molecules are known, and many are fascinating. But beauty is in the eye of the beholder. Thus it was that I came across the attached molecule. It struck me immediately as, well, beautiful! This is one that comes to life in 3D and I strongly urge you to inspect it as [&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,"activitypub_content_warning":"","activitypub_content_visibility":"","activitypub_max_image_attachments":5,"activitypub_interaction_policy_quote":"anyone","activitypub_status":"","footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":false,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[4],"tags":[945],"ppma_author":[2661],"class_list":["post-8337","post","type-post","status-publish","format-standard","hentry","category-interesting-chemistry","tag-metal-wire"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.3 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>A chiral molecular wire. - Henry Rzepa&#039;s Blog<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"A chiral molecular wire. - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"More than 60 million molecules are known, and many are fascinating. But beauty is in the eye of the beholder. Thus it was that I came across the attached molecule. It struck me immediately as, well, beautiful! This is one that comes to life in 3D and I strongly urge you to inspect it as [&hellip;]\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337\" \/>\n<meta property=\"og:site_name\" content=\"Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"article:published_time\" content=\"2012-11-20T08:27:47+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2012-11-20T16:26:56+00:00\" \/>\n<meta property=\"og:image\" content=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg\" \/>\n<meta name=\"author\" content=\"Henry Rzepa\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Henry Rzepa\" \/>\n\t<meta name=\"twitter:label2\" content=\"Estimated reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"A chiral molecular wire. - Henry Rzepa&#039;s Blog","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337","og_locale":"en_GB","og_type":"article","og_title":"A chiral molecular wire. - Henry Rzepa&#039;s Blog","og_description":"More than 60 million molecules are known, and many are fascinating. But beauty is in the eye of the beholder. Thus it was that I came across the attached molecule. It struck me immediately as, well, beautiful! This is one that comes to life in 3D and I strongly urge you to inspect it as [&hellip;]","og_url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337","og_site_name":"Henry Rzepa&#039;s Blog","article_published_time":"2012-11-20T08:27:47+00:00","article_modified_time":"2012-11-20T16:26:56+00:00","og_image":[{"url":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg","type":"","width":"","height":""}],"author":"Henry Rzepa","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Henry Rzepa","Estimated reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#article","isPartOf":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337"},"author":{"name":"Henry Rzepa","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281"},"headline":"A chiral molecular wire.","datePublished":"2012-11-20T08:27:47+00:00","dateModified":"2012-11-20T16:26:56+00:00","mainEntityOfPage":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337"},"wordCount":201,"commentCount":2,"image":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#primaryimage"},"thumbnailUrl":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg","keywords":["metal wire"],"articleSection":["Interesting chemistry"],"inLanguage":"en-GB","potentialAction":[{"@type":"CommentAction","name":"Comment","target":["https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#respond"]}]},{"@type":"WebPage","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337","url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337","name":"A chiral molecular wire. - Henry Rzepa&#039;s Blog","isPartOf":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#website"},"primaryImageOfPage":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#primaryimage"},"image":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#primaryimage"},"thumbnailUrl":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg","datePublished":"2012-11-20T08:27:47+00:00","dateModified":"2012-11-20T16:26:56+00:00","author":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281"},"breadcrumb":{"@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#breadcrumb"},"inLanguage":"en-GB","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337"]}]},{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#primaryimage","url":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg","contentUrl":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/11\/GOCTOH.jpg"},{"@type":"BreadcrumbList","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=8337#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog"},{"@type":"ListItem","position":2,"name":"A chiral molecular wire."}]},{"@type":"WebSite","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#website","url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/","name":"Henry Rzepa&#039;s Blog","description":"Chemistry with a twist","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-GB"},{"@type":"Person","@id":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/#\/schema\/person\/2b40f7b9c872a4dc1547e040a11b6281","name":"Henry Rzepa","image":{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g370be3a7397865e4fd161aefeb0a5a85","url":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","caption":"Henry Rzepa"},"description":"Henry Rzepa is Emeritus Professor of Computational Chemistry at Imperial College London.","sameAs":["https:\/\/orcid.org\/0000-0002-8635-8390"],"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?author=1"}]}},"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/pDef7-2at","jetpack-related-posts":[],"jetpack_likes_enabled":false,"authors":[{"term_id":2661,"user_id":1,"is_guest":0,"slug":"admin","display_name":"Henry Rzepa","avatar_url":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","0":null,"1":"","2":"","3":"","4":"","5":"","6":"","7":"","8":""}],"_links":{"self":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/8337","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=8337"}],"version-history":[{"count":13,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/8337\/revisions"}],"predecessor-version":[{"id":8371,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/8337\/revisions\/8371"}],"wp:attachment":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=8337"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=8337"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=8337"},{"taxonomy":"author","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fppma_author&post=8337"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}