Accuracy

Pt(II)C4Cl2 (BOFTEV)   7715 Pt(II)C4Cl2 (BOFTEV)

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

    

    #  Species Formula
  7705 cis-Pt(PEt3)2(SEt)2C16H40P2S2Pt
  7706 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7707 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  7708 Methyl platinum(II) chlorideCH3ClPt
  7709 Methyl platinum(II) chloride (Geo)CH3ClPt
  7710 Pt(II)N2ClO (ACHGLP10) (Geo)C2H7N2O2ClPt
  7711 Pt(II)N2ClO (ACHGLP10)C2H7N2O2ClPt
  7712 cis-Pt(PEt3)2Cl(CH3)C13H33P2ClPt
  7713 cis-Pt(PEt3)2Cl(2-Tol)C19H37P2ClPt
  7714 Pt(II)C4Cl2 (BOFTEV) (Geo)C4H8Cl2Pt
  7715 Pt(II)C4Cl2 (BOFTEV) C4H8Cl2Pt
  7716 Pt(cyclooctadiene)Cl2C8H12Cl2Pt
  7717 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt
  7718 Pt(II)Cl2NC2 (ETDMAX)C4H9NCl2Pt
  7719 Cis-Pt(NH3)2Cl2H6N2Cl2Pt
  7720 Pt(II)N2Cl2 (CUKRAB) (Geo)H6N2Cl2Pt
  7721 Pt(II)N2Cl2 (CUKRAB)H6N2Cl2Pt
  7722 Cis-Pt(NH2C2H4NH2)2Cl2C2H8N2Cl2Pt
  7723 Pt(II)Cl2N2 (CCENPT) (Geo)C2H8N2Cl2Pt
  7724 Pt(II)Cl2N2 (CCENPT)C2H8N2Cl2Pt
  7725 Cis-Pt(NH2Me)2Cl2C2H10N2Cl2Pt


ΔHf: -8.1 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF PM7
Pt(II)C4Cl2 (BOFTEV)
 H=-8.1 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.24143377 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.24166517 +1   91.1702710 +1    0.0000000 +0     1     2     0
  C     2.13186410 +1  160.3978545 +1   84.8002226 +1     1     2     3
  C     1.41894927 +1   70.5585636 +1 -174.7855736 +1     4     1     2
  C     2.13123557 +1   87.4370159 +1   75.7103857 +1     1     2     4
  C     1.41890914 +1   70.5347280 +1   88.9738643 +1     6     1     2
  H     1.09027802 +1  112.8960534 +1  116.7486331 +1     4     1     5
  H     1.08452504 +1  115.4998082 +1  126.2964319 +1     4     1     8
  H     1.09053327 +1  121.3905453 +1  105.4708459 +1     5     4     1
  H     1.08458858 +1  121.9977274 +1  146.0061065 +1     5     4    10
  H     1.08422002 +1  115.5073359 +1  116.9715440 +1     6     1     7
  H     1.09051375 +1  112.9214641 +1  126.3375660 +1     6     1    12
  H     1.08458280 +1  121.9807610 +1  108.4941702 +1     7     6     1
  H     1.09050300 +1  121.3935719 +1  145.9706540 +1     7     6    14