Accuracy

trans-pt(pet3)2cl2   7743 trans-Pt(PEt3)2Cl2

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

    

    #  Species Formula
  7733 Platinum(IV) oxide dichlorideOCl2Pt
  7734 Platinum(IV) oxide dichloride (Geo)OCl2Pt
  7735 Pt(II)N2Cl2 (CCAPGC10) (Geo)C2H8N2O2Cl2Pt
  7736 Pt(II)N2Cl2 (CCAPGC10)C2H8N2O2Cl2Pt
  7737 cis-Pt(IV)(glycyl)2Cl2 (Geo)C4H8N2O4Cl2Pt
  7738 Pt(II)Cl2N2 (BALTIR) (Geo)C4H10N2O4Cl2Pt
  7739 Pt(II)Cl2N2 (BALTIR)C4H10N2O4Cl2Pt
  7740 Pt(II)P2Cl2 (CDCPPT10) (Geo)C6H18P2Cl2Pt
  7741 Pt(PMe3)2Cl2 (cis) (Geo)C6H18P2Cl2Pt
  7742 cis-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7743 trans-Pt(PEt3)2Cl2 C12H30P2Cl2Pt
  7744 cis-Pt(PMe2Ph)2Cl2C17H24P2Cl2Pt
  7745 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt) (Geo)C2H4Cl3Pt
  7746 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt)C2H4Cl3Pt
  7747 Pt(II)Cl3N(-) (APTCPT) (Geo)C7H9NCl3Pt
  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


ΔHf: -118.2 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 SHIFT=80 PULAY PM7
trans-Pt(PEt3)2Cl2
 H=-118.2 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.34922286 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.39084609 +1   89.9945659 +1    0.0000000 +0     1     2     0
  P     2.38421068 +1   90.6437894 +1  179.6283612 +1     1     2     3
 Cl     2.34991963 +1   89.9389998 +1 -179.4253721 +1     1     3     2
  C     1.86581555 +1  112.0312051 +1  -29.6483916 +1     3     1     2
  C     1.87192772 +1  113.7797061 +1 -151.6327367 +1     3     1     2
  C     1.87477330 +1  112.4191599 +1   90.7789357 +1     3     1     2
  C     1.87907290 +1  112.3973650 +1  -98.2787874 +1     4     1     2
  C     1.87048786 +1  114.9406128 +1   19.3959904 +1     4     1     2
  C     1.87161873 +1  112.8066788 +1  143.7685278 +1     4     1     2
  C     1.53909687 +1  118.9693975 +1 -176.6538451 +1     6     3     1
  C     1.54363173 +1  116.0247586 +1   55.7482223 +1     7     3     1
  C     1.54381528 +1  115.2823950 +1  -57.0071444 +1     8     3     1
  C     1.54345044 +1  115.5205695 +1  -55.3405537 +1     9     4     1
  C     1.54349508 +1  116.7944078 +1   61.3346971 +1    10     4     1
  C     1.54333726 +1  116.5743580 +1  -50.8574287 +1    11     4     1
  H     1.13154511 +1  108.3722551 +1  -52.3269110 +1     6     3     1
  H     1.13497071 +1  108.1032564 +1   59.7055883 +1     6     3     1
  H     1.13249476 +1  108.4164058 +1  -65.1773875 +1     7     3     1
  H     1.12229624 +1  110.4892521 +1  179.6656154 +1     7     3     1
  H     1.12983395 +1  108.4054246 +1   64.0096752 +1     8     3     1
  H     1.12189395 +1  110.6391370 +1  179.2995211 +1     8     3     1
  H     1.12138152 +1  110.7830330 +1 -179.3290721 +1     9     4     1
  H     1.12962063 +1  108.2806610 +1   65.5025356 +1     9     4     1
  H     1.12258458 +1  110.4964734 +1 -174.4577619 +1    10     4     1
  H     1.13413241 +1  108.0562875 +1  -59.4396506 +1    10     4     1
  H     1.13437016 +1  107.5550345 +1   69.3857792 +1    11     4     1
  H     1.12132780 +1  110.7804944 +1 -175.7762698 +1    11     4     1
  H     1.10079020 +1  109.2019617 +1 -178.5292931 +1    12     6     3
  H     1.09805345 +1  113.4726744 +1   63.1070034 +1    12     6     3
  H     1.09868124 +1  113.4996470 +1  -66.6759621 +1    14     8     3
  H     1.09776358 +1  109.5007818 +1  174.2058681 +1    14     8     3
  H     1.10513743 +1  113.2547366 +1   55.3834958 +1    14     8     3
  H     1.09782918 +1  109.5148325 +1  173.0596891 +1    15     9     4
  H     1.10546199 +1  113.3925564 +1   54.2901023 +1    15     9     4
  H     1.09827404 +1  113.6050332 +1  -67.7080281 +1    15     9     4
  H     1.09849089 +1  109.3076259 +1  173.9990772 +1    17    11     4
  H     1.10507028 +1  112.9014678 +1   56.1225648 +1    17    11     4
  H     1.09700553 +1  113.6775992 +1  -66.6487698 +1    17    11     4
  H     1.09666476 +1  113.6697724 +1   65.5280871 +1    16    10     4
  H     1.10447758 +1  113.1309650 +1  -57.7330789 +1    16    10     4
  H     1.09908655 +1  109.1622055 +1 -175.3497951 +1    16    10     4
  H     1.09885741 +1  109.2275578 +1 -175.6988803 +1    13     7     3
  H     1.09703128 +1  113.6649201 +1   65.1159161 +1    13     7     3
  H     1.10473023 +1  113.0679879 +1  -58.0256078 +1    13     7     3
  H     1.09801622 +1  113.5872219 +1  -60.2800393 +1    12     6     3