Accuracy

cis-pt(pet3)2cl4   7758 cis-Pt(PEt3)2Cl4

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  7748 Pt(II)Cl3N(-) (APTCPT)C7H9NCl3Pt
  7749 Pt(IV)Cl3CN2 (CEFJAY) (Geo)C12H19N2Cl3Pt
  7750 Pt(IV)Cl3CN2 (CEFJAY)C12H19N2Cl3Pt
  7751 Pt(IV)N3Cl3(+) (ENTAPT) (Geo)C4H13N3Cl3Pt
  7752 Pt(IV)N3Cl3(+) (ENTAPT)C4H13N3Cl3Pt
  7753 mer-(NH3)2-Cl3-(N-pyridonato) platinum (Geo)C5H10N3OCl3Pt
  7754 Pt(II)Cl4(2-) (CULZIS) (Geo)Cl4Pt
  7755 Pt(II)Cl4(2-) (CULZIS)Cl4Pt
  7756 Pt(II)N4 (BOHWOK) (Geo)C4H2N4O4Cl4Pt
  7757 Pt(II)N4 (BOHWOK)C4H2N4O4Cl4Pt
  7758 cis-Pt(PEt3)2Cl4 C12H30P2Cl4Pt
  7759 Pt(IV)Cl6(2-) (DEFVUF) (Geo)Cl6Pt
  7760 Pt(IV)Cl6(2-) (DEFVUF)Cl6Pt
  7761 Methyl platinum(II) bromideCH3BrPt
  7762 Methyl platinum(II) bromide (Geo)CH3BrPt
  7763 Pt(II)N3Br(+) (BDETAP) (Geo)C4H13N3BrPt
  7764 Pt(II)N3Br(+) (BDETAP)C4H13N3BrPt
  7765 trans-Pt(PEt3)2(Allyl)Br (Geo)C15H35P2BrPt
  7766 Pt(II)Br2N2 (ACHPTB) (Geo)C6H12N2Br2Pt
  7767 Pt(II)Br2N2 (ACHPTB)C6H12N2Br2Pt
  7768 Platinum(IV) oxide dibromideOBr2Pt


ΔHf: -158.5 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 PM7
cis-Pt(PEt3)2Cl4
 H=-158.5 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.30903061 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.30688129 +1   83.2387134 +1    0.0000000 +0     1     2     0
  P     2.50468372 +1   89.7589770 +1 -178.6229201 +1     1     2     3
  P     2.49407733 +1   90.2064515 +1 -178.9540508 +1     1     3     2
 Cl     2.32758038 +1   87.2004697 +1  -87.9487955 +1     1     2     3
 Cl     2.32783631 +1   87.6515349 +1   88.9605215 +1     1     2     3
  C     1.85806078 +1  113.1629831 +1  -87.9190841 +1     4     1     2
  C     1.86450897 +1  117.9144470 +1  146.4929762 +1     4     1     2
  C     1.85993310 +1  106.1975929 +1   27.6767194 +1     4     1     2
  C     1.86055499 +1  113.3160912 +1  -97.5408005 +1     5     1     3
  C     1.86419314 +1  114.4232363 +1  139.0506980 +1     5     1     3
  C     1.85825826 +1  109.4365615 +1   20.2860694 +1     5     1     3
  C     1.54036670 +1  119.0949852 +1  -71.7633283 +1     8     4     1
  H     1.14093755 +1  107.9082183 +1   50.3978034 +1     8     4     1
  H     1.12738093 +1  109.5635107 +1  163.6574147 +1     8     4     1
  H     1.12409968 +1  111.2459962 +1   63.3612541 +1     9     4     1
  C     1.54304569 +1  116.6507933 +1  -62.0001729 +1     9     4     1
  H     1.13063025 +1  108.6752580 +1  176.7799258 +1     9     4     1
  C     1.53915673 +1  118.9191574 +1  175.6867902 +1    10     4     1
  H     1.13810312 +1  108.6466296 +1   51.6919725 +1    10     4     1
  H     1.13781712 +1  109.2439509 +1  -60.2949135 +1    10     4     1
  H     1.12602474 +1  110.2064311 +1 -164.3644046 +1    11     5     1
  H     1.13113288 +1  109.8331343 +1  -49.4251545 +1    11     5     1
  C     1.54560082 +1  116.2827172 +1   72.9820479 +1    11     5     1
  H     1.12489576 +1  111.0415635 +1   64.9908940 +1    12     5     1
  C     1.54335468 +1  117.7731226 +1 -171.1672421 +1    12     5     1
  H     1.13743258 +1  107.7147591 +1  -49.9230924 +1    12     5     1
  C     1.54341759 +1  117.1064565 +1   62.5771626 +1    13     5     1
  H     1.12511337 +1  110.0204360 +1 -173.4450464 +1    13     5     1
  H     1.13782939 +1  108.9246182 +1  -59.1969314 +1    13     5     1
  H     1.10066405 +1  109.3485166 +1 -179.9843392 +1    27    12     5
  H     1.10028050 +1  113.4000556 +1   62.1065495 +1    27    12     5
  H     1.09750526 +1  113.9910293 +1  -61.3195559 +1    27    12     5
  H     1.09729906 +1  113.5597067 +1   69.3205248 +1    25    11     5
  H     1.10630183 +1  114.4094222 +1  -54.1507630 +1    25    11     5
  H     1.09968236 +1  109.2286164 +1 -171.9327574 +1    25    11     5
  H     1.10763799 +1  113.2485284 +1  -67.8719377 +1    29    13     5
  H     1.09938301 +1  109.1843009 +1  175.1551356 +1    29    13     5
  H     1.09599364 +1  114.7576323 +1   55.5218435 +1    29    13     5
  H     1.10286818 +1  109.0243514 +1  179.8473179 +1    20    10     4
  H     1.09734925 +1  113.9020497 +1   61.8180618 +1    20    10     4
  H     1.09760721 +1  113.7626473 +1  -62.1839076 +1    20    10     4
  H     1.10245262 +1  108.9165891 +1 -174.4829908 +1    14     8     4
  H     1.10239160 +1  113.0203620 +1   69.3539797 +1    14     8     4
  H     1.09488387 +1  114.5998439 +1  -56.0145113 +1    14     8     4
  H     1.09861478 +1  109.4842752 +1  177.3164013 +1    18     9     4
  H     1.10181587 +1  114.9301656 +1   57.5709314 +1    18     9     4
  H     1.10150577 +1  113.3051538 +1  -64.3726090 +1    18     9     4