{"id":2878,"date":"2024-06-07T16:25:00","date_gmt":"2024-06-07T14:25:00","guid":{"rendered":"https:\/\/teneochem.pl\/?page_id=2878"},"modified":"2025-01-30T15:07:41","modified_gmt":"2025-01-30T15:07:41","slug":"cpcp2","status":"publish","type":"page","link":"https:\/\/teneochem.pl\/index.php\/cpcp2\/","title":{"rendered":"cpcp2 (07 VI 2024)"},"content":{"rendered":"\n<p>Dodanie dw\u00f3ch elektron\u00f3w do alotropu C<sub>308<\/sub> nie zmieni\u0142o stanu relaksacji cz\u0105steczki (Orca 4.2.1\/ PM3\/ hess-plus):<\/p>\n\n\n\n<div style=\"height: 300px; width: 300px; position: relative;\" class='viewer_3Dmoljs' data-href='https:\/\/teneochem.pl\/struct\/nowe2\/cpcp\/propprop-pm3-2minus-onv-C308.sdf' data-backgroundcolor='yellow' data-style='stick'><\/div>\n\n\n\n<p>Udana relaksacja dianionu zasugerowa\u0142a mi, \u017ce cz\u0105steczka posiadaj\u0105ca 312 atom\u00f3w w\u0119gla po dodaniu dw\u00f3ch atom\u00f3w wodoru r\u00f3wnie\u017c powinna si\u0119 da\u0107 zrelaksowa\u0107 (parametry oblicze\u0144 jak wy\u017cej):<\/p>\n\n\n\n<div style=\"height: 300px; width: 300px; position: relative;\" class='viewer_3Dmoljs' data-href='https:\/\/teneochem.pl\/struct\/nowe2\/cpcp\/cp-cp-2H-pm3-C312H2.sdf' data-backgroundcolor='yellow' data-style='stick'><\/div>\n\n\n\n<p>Wyb\u00f3r po\u0142o\u017cenia atom\u00f3w wodoru by\u0142 do\u015b\u0107 przypadkowy. Pokazuje on jedynie, \u017ce liczba mo\u017cliwych izomer\u00f3w po\u0142o\u017cenia jest du\u017ca.<\/p>\n\n\n\n<p>Zastanowi\u0142o mnie, czy usuni\u0119cie mostk\u00f3w acetylenowych z cz\u0105steczki zawieraj\u0105cej dwa atomy wodoru da moleku\u0142\u0119 zrelaksowan\u0105. Przeprowadzi\u0142em takie obliczenie na poziomie p\u00f3\u0142empirycznym (Orca 4.2.1\/ PM3\/ hess-plus):<\/p>\n\n\n\n<div style=\"height: 300px; width: 300px; position: relative;\" class='viewer_3Dmoljs' data-href='https:\/\/teneochem.pl\/struct\/nowe2\/cpcp\/cp-cp-H2-odmostkowany-pm3-C126H2.sdf' data-backgroundcolor='yellow' data-style='stick'><\/div>\n\n\n\n<p>Skonstruowa\u0142em jeszcze kilka podobnych modeli, ale ich badanie od\u0142o\u017cy\u0142em ze wzgl\u0119du na du\u017c\u0105 liczb\u0119 nowych, struktur, kt\u00f3re przysz\u0142y mi do g\u0142owy.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Dodanie dw\u00f3ch elektron\u00f3w do alotropu C308 nie zmieni\u0142o stanu relaksacji cz\u0105steczki (Orca 4.2.1\/ PM3\/ hess-plus): Udana relaksacja dianionu zasugerowa\u0142a mi, \u017ce cz\u0105steczka posiadaj\u0105ca 312 atom\u00f3w w\u0119gla po dodaniu dw\u00f3ch atom\u00f3w wodoru r\u00f3wnie\u017c powinna si\u0119 da\u0107 zrelaksowa\u0107 (parametry oblicze\u0144 jak wy\u017cej): Wyb\u00f3r po\u0142o\u017cenia atom\u00f3w wodoru by\u0142 do\u015b\u0107 przypadkowy. Pokazuje on jedynie, \u017ce liczba mo\u017cliwych izomer\u00f3w po\u0142o\u017cenia [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-2878","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/pages\/2878","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/comments?post=2878"}],"version-history":[{"count":2,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/pages\/2878\/revisions"}],"predecessor-version":[{"id":3639,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/pages\/2878\/revisions\/3639"}],"wp:attachment":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/media?parent=2878"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}