Editing Benzene
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{{Stub-general}} | {{Stub-general}} | ||
'''Benzene''' (C<sub>6</sub>H<sub>6</sub>) | '''Benzene''' (C<sub>6</sub>H<sub>6</sub>) | ||
<jmol> | |||
<jmolApplet> | |||
<size>150</size> | |||
<color>orange</color> | |||
<inlineContents><![CDATA[<cml:molecule xmlns:cml="http://www.xml-cml.org/schema/cml2/core" title="chair.mol"> | |||
<cml:metadataList title="generated automatically from Openbabel"> | |||
<cml:metadata name="dc:creator" content="OpenBabel version 1-100.1"/> | |||
<cml:metadata name="dc:description" content="Conversion of legacy filetype to CML"/> | |||
<cml:metadata name="dc:identifier" content="Unknown"/> | |||
<cml:metadata name="dc:content"/> | |||
<cml:metadata name="dc:rights" content="unknown"/> | |||
<cml:metadata name="dc:type" content="chemistry"/> | |||
<cml:metadata name="dc:contributor" content="unknown"/> | |||
<cml:metadata name="dc:creator" content="Openbabel V1-100.1"/> | |||
<cml:metadata name="dc:date" content="Tue Jun 06 19:11:23 BST 2006"/> | |||
<cml:metadata name="cmlm:structure" content="yes"/> | |||
</cml:metadataList> | |||
<cml:atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18" elementType="C C C C C C H H H H H H H H H H H H" formalCharge="0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x3="1.688100 2.148400 2.936100 2.092700 1.632900 0.853200 2.580700 1.089700 1.257800 2.779100 3.872500 3.241300 1.200500 2.683500 0.995700 2.524000 0.564200 -0.091900" y3="2.157200 3.621700 3.912600 3.576900 2.112000 1.810200 1.488700 1.971100 4.292700 3.847400 3.305300 4.986100 4.246700 3.770000 1.892800 1.442600 0.732200 2.403900" z3="-3.019300 -2.979700 -1.694200 -0.455700 -0.489800 -1.777800 -3.065200 -3.943000 -3.028200 -3.872700 -1.684400 -1.668500 -0.422400 0.471400 0.400200 -0.429400 -1.803100 -1.787800"/> | |||
<cml:bondArray atomRef1="a1 a1 a1 a1 a2 a2 a2 a3 a3 a3 a4 a4 a4 a5 a5 a5 a6 a6" atomRef2="a2 a6 a7 a8 a3 a9 a10 a4 a11 a12 a5 a13 a14 a6 a15 a16 a17 a18" order="1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"/> | |||
</cml:molecule>]]> | |||
</inlineContents> | |||
</jmolApplet> | |||
</jmol> | |||
===Interesting reading=== | |||
*John H. Wotiz and Susanna Rudofsky "Kekules dream: fact or fiction?", Chemistry in Britain '''August''' pp. 720-723 (1984) | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1021/ja046642u Ivo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, and Alessandro Tani "Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations", JACS '''126''' pp. 14278-14286 (2004)] | |||
[[category: models]] | [[category: models]] |