Accuracy

methyl platinum(ii) chloride   7708 Methyl platinum(II) chloride

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    #  Species Formula
  7698 trans-Pt(PPh3)(C2H5)(benzoyl) (Geo)C45H40OP2Pt
  7699 Oxalato-bis(trimethylphosphine) platinum (Geo)C8H18O4P2Pt
  7700 Pt(PMe3)2F2 (cis) (Geo)C6H18F2P2Pt
  7701 cis-Pt(SMe2)2(C6H5)2 (Geo)C16H22S2Pt
  7702 Platinum(cyclooctadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7703 Platinum(cyclooctadiene) maleonitriledithiolatoC12H12N2S2Pt
  7704 Pt(Cyclo-octadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7705 cis-Pt(PEt3)2(SEt)2C16H40P2S2Pt
  7706 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7707 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  7708 Methyl platinum(II) chloride CH3ClPt
  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


ΔHf: 48.3 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.
Dipole: 3.3 Debye,     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.
  
 PM7
Methyl platinum(II) chloride
 D=3.26 DR=PW91D H=48.3 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.21284048 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.03929301 +1   99.4644944 +1    0.0000000 +0     1     2     0
  H     1.08805635 +1  108.6781034 +1   -6.8017606 +1     3     1     2
  H     1.08892018 +1  107.6527185 +1  120.0478634 +1     3     1     4
  H     1.08888849 +1  107.6450831 +1  120.0393758 +1     3     1     5