{"id":130,"date":"2022-04-24T23:16:28","date_gmt":"2022-04-24T23:16:28","guid":{"rendered":"https:\/\/kingchem.org\/?page_id=130"},"modified":"2025-05-28T11:39:46","modified_gmt":"2025-05-28T18:39:46","slug":"handy-references","status":"publish","type":"page","link":"https:\/\/kingchem.org\/?page_id=130","title":{"rendered":"Handy references"},"content":{"rendered":"\n<h3 class=\"wp-block-heading\">External Links<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li><a href=\"https:\/\/organicchemistrydata.org\/\">The Reich Collection &#8211; NMR info, pKas, and other useful info<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.nmr.ucdavis.edu\/useful-resources\">Many useful NMR links from UC Davis<\/a><\/li>\n\n\n\n<li><a href=\"http:\/\/www.chem.rochester.edu\/notvoodoo\/index.php\">Not VooDoo practical laboratory tips<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www2.chemistry.msu.edu\/facilities\/nmr\/NMR_Artifacts.html#badZ1Z2\">Common NMR Artifacts<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jo101589h\">Drying solvents<\/a> (and separate <a href=\"https:\/\/doi.org\/10.1021\/jo00316a030\">reference for amines<\/a>)<\/li>\n\n\n\n<li><a href=\"https:\/\/www.google.com\/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=&amp;cad=rja&amp;uact=8&amp;ved=2ahUKEwjFrZ6Oo8P-AhU6C0QIHazfBpwQFnoECDAQAQ&amp;url=https%3A%2F%2Fwww.sigmaaldrich.com%2Fdeepweb%2Fassets%2Fsigmaaldrich%2Fmarketing%2Fglobal%2Fdocuments%2F685%2F583%2Fal_techbull_al134.pdf&amp;usg=AOvVaw37F8Y2MbfUEFXgVo6lN6XM\">Handling of Air-Sensitive Reagents<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/schlenklinesurvivalguide.com\/wp-content\/uploads\/2024\/11\/an-illustrated-guide-to-schlenk-line-techniques-1.pdf\">https:\/\/schlenklinesurvivalguide.com\/wp-content\/uploads\/2024\/11\/an-illustrated-guide-to-schlenk-line-techniques-1.pdf<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.google.com\/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=&amp;ved=2ahUKEwi5hsiCqMP-AhWUJUQIHYgDDREQFnoECA8QAQ&amp;url=https%3A%2F%2Fwww3.nd.edu%2F~hgao%2FJOC1997p7512.pdf&amp;usg=AOvVaw2M-Wpdqd4uVHvvowKZ3fzs\">Chemical shifts of solvents<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.sigmaaldrich.com\/US\/en\/technical-documents\/technical-article\/analytical-chemistry\/nuclear-magnetic-resonance\/1h-nmr-and-13c-nmr-chemical-shifts-of-impurities-chart\">And more chemical shifts of common impurities<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/kingchem.org\/wp-content\/uploads\/2023\/10\/full_correlation_charts.pdf\">Correlation charts<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/kingchem.org\/wp-content\/uploads\/2024\/03\/BuLi_titration.pdf\">Titration of BuLi<\/a> (from <a href=\"https:\/\/www.google.com\/url?sa=t&amp;rct=j&amp;q=&amp;esrc=s&amp;source=web&amp;cd=&amp;cad=rja&amp;uact=8&amp;ved=2ahUKEwiWxYbJsvSEAxWrGTQIHa8dBKIQFnoECBgQAQ&amp;url=https%3A%2F%2Ffaculty.utrgv.edu%2Fshizue.mito%2Flab%2F_userdata%2Ftitration.pdf&amp;usg=AOvVaw16zzjgJHrdV5yq1B7ZXAcf&amp;opi=89978449\">this link<\/a>)<\/li>\n\n\n\n<li><em><a href=\"https:\/\/unr.primo.exlibrisgroup.com\/view\/action\/uresolver.do?operation=resolveService&amp;package_service_id=7263492190006781&amp;institutionId=6781&amp;customerId=6780&amp;VE=true\">The Chemist&#8217;s Companion<\/a><\/em> (via UNR libraries)<\/li>\n\n\n\n<li><a href=\"https:\/\/www.sigmaaldrich.com\/deepweb\/assets\/sigmaaldrich\/marketing\/global\/documents\/600\/187\/hplc-columns-guide-br7614en-ms.pdf\">Sigma-Aldrich HPLC column guide<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/kingchem.org\/wp-content\/uploads\/2022\/05\/improving_vacuum_performance-1-2.pdf\" data-type=\"attachment\" data-id=\"241\">Welch Vacuum Technical Newsletter<\/a> has a good description for rotary vane pumps.<\/li>\n<\/ul>\n\n\n\n<h3 class=\"wp-block-heading\">Check Your NMR Spectra<\/h3>\n\n\n\n<p>in your 1H NMR spectra, make sure your TMS peaks are less than 2 Hz and preferable ~1 Hz at half-height. (from Stephen Spain: &#8220;I always tell the students to use the TMS peak. Depending on the quality of tube and sample makeup, it should be a singlet with a width at half-height of less than 1 Hz while spinning at 20 Hz. Best case scenario would be a linewidth around 0.4 Hz, and I\u2019ve gotten that on all the magnets in the SIL. As the shimming gets better the TMS will show Si-29 and C-13 satelites.<\/p>\n\n\n\n<p>In VNMRJ you open your file and put the the cursor on the TMS peak and type <code>nl dres<\/code> in the command line and then press enter and that will give you the linewidth at half-height. nl forces the cursor to the apex of the peak and <code>dres<\/code> gives the linewidth.<\/p>\n\n\n\n<p>In MestReNova the easiest way to get the half-height is to click on the drop down arrow next to the peak-picking icon and select peak-by-peak , then click on the TMS peak. From there, go to View \uf0e0 Tables\u2026 -&gt; then on the dialog box that pops up, under NMR, check peaks. This will give a table of all the peaks you clicked on as well as width at half-height.&#8221;)<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">Recommended Level of Theory for Organic Molecules<\/h3>\n\n\n\n<p>For energies and geometries of organic molecules, I am using B98D3\/def2TZVP (Aust. J. Chem. 2019, 72, 563 discusses choosing from the alphabet soup of the new functionals and basis sets).<\/p>\n","protected":false},"excerpt":{"rendered":"<p>External Links Check Your NMR Spectra in your 1H NMR spectra, make sure your TMS peaks are less than 2 Hz and preferable ~1 Hz at half-height. (from Stephen Spain: &#8220;I always tell the students to use the TMS peak. Depending on the quality of tube and sample makeup, it should be a singlet with&#8230; &raquo; <a class=\"read-more-link\" href=\"https:\/\/kingchem.org\/?page_id=130\">read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-130","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/pages\/130","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/kingchem.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=130"}],"version-history":[{"count":17,"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/pages\/130\/revisions"}],"predecessor-version":[{"id":928,"href":"https:\/\/kingchem.org\/index.php?rest_route=\/wp\/v2\/pages\/130\/revisions\/928"}],"wp:attachment":[{"href":"https:\/\/kingchem.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=130"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}