C3H2Cl4O2-1

From MolWiki
Jump to navigation Jump to search

2,2,2-Trichloroethyl Chloroformate.

GED structural study <bib id="GilPCCP2016" /> has been performed using a dynamic model with potential function containing two minima. The corresponding semi-experimental re structures are <jmol>

<jmolApplet>
 <inlineContents>
  11
  GEDRe

Cl -3.370369616547 -0.501685445539 -0.120922495246 C -2.002976570633 0.471499356652 0.350191461082 O -1.970880878944 1.648407979447 0.304157859890 O -1.038103315820 -0.346562947338 0.774481982457 C 0.155455995221 0.332468636837 1.128809575783 C 1.220483608172 -0.012863497494 0.070818436567 H -0.012465804342 1.407968070047 1.150464596769 H 0.463956785472 -0.056103016487 2.098338981521 Cl 2.714847535425 0.835183820235 0.517514721336 Cl 1.531181792288 -1.753739446805 0.021354623987 Cl 0.702826876501 0.514332096615 -1.536794293044

 </inlineContents>
</jmolApplet>

</jmol>

and

<jmol>

<jmolApplet>
 <inlineContents>
  11
  GEDRe

Cl -3.509701423553 -0.571905842081 -0.000560584485 C -2.224057909223 0.605858999586 0.000948978777 O -2.379197773487 1.776157624324 0.002429984164 O -1.059338891476 -0.030149463789 0.000155143148 C 0.017022027379 0.898016894074 0.001342744049 C 1.286231200150 0.035272270274 0.000263467469 H -0.020138967929 1.515752421014 -0.896882637100 H -0.020158149822 1.513476252804 0.901127956833 Cl 2.676361654227 1.141566144391 -0.023638421231 Cl 1.373691691621 -0.975962745844 1.448725699763 Cl 1.349597672376 -1.007812063453 -1.426708341650

 </inlineContents>
</jmolApplet>

</jmol>