Accuracy

Pt(II)N4(2plus) (APTCPT)   7666 Pt(II)N4(2+) (APTCPT)

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

    

    #  Species Formula
  7656 Platinum, 1D(g) 5d(9)6s(1)Pt
  7657 Platinum, 1G(g) 5d(8)6s(2)Pt
  7658 Platinum, 1S(g) 5d(10)6s(0)Pt
  7659 Platinum, 3F(g) 5d(8)6s(2)Pt
  7660 Platinum, atomPt
  7661 Cyclopentadienyl trimethyl platinumC8H14Pt
  7662 Pt(IV)(Cp)C3 (CPMEPT01) (Geo)C8H14Pt
  7663 Pt(IV)(Cp)C3 (CPMEPT01)C8H14Pt
  7664 Pt(II)(NH3)4 (Geo)H12N4Pt
  7665 Pt(II)N4(2+) (APTCPT) (Geo)H12N4Pt
  7666 Pt(II)N4(2+) (APTCPT) H12N4Pt
  7667 Pt(II)(NH3)6H18N6Pt
  7668 Pt(II)(NH3)6 (Geo)H18N6Pt
  7669 Pt(II)N4(2+) (ACMPTC) (Geo)C4H22N6Pt
  7670 Pt(II)N4(2+) (ACMPTC)C4H22N6Pt
  7671 Pt(CO)4 (Geo)C4O4Pt
  7672 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7673 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ)C5H6N2O4Pt
  7675 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7676 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt


ΔHf: 347.4 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.
  
 CHARGE=2 UHF PM7
Pt(II)N4(2+) (APTCPT)
 H=347.4 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.05190787 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.05145722 +1   90.0912878 +1    0.0000000 +0     1     2     0
  N     2.05163310 +1   90.2611821 +1 -179.9727244 +1     1     3     2
  N     2.05204470 +1   89.7537479 +1  179.8859279 +1     1     2     3
  H     1.02181228 +1  111.8545217 +1   98.1741132 +1     2     1     3
  H     1.01934899 +1  112.5030535 +1  120.6147204 +1     2     1     6
  H     1.01801301 +1  113.3250282 +1  118.8735493 +1     2     1     7
  H     1.01912329 +1  112.7334475 +1  -35.3911338 +1     3     1     2
  H     1.01847252 +1  113.1381426 +1 -118.7635390 +1     3     1     9
  H     1.02191915 +1  111.7904167 +1 -120.4934309 +1     3     1    10
  H     1.02183393 +1  111.8523983 +1  -98.3908875 +1     4     1     3
  H     1.01943790 +1  112.4888078 +1 -120.6568773 +1     4     1    12
  H     1.01804314 +1  113.3384294 +1 -118.8097073 +1     4     1    13
  H     1.01896317 +1  112.7385033 +1   35.1917956 +1     5     1     2
  H     1.01834748 +1  113.1333162 +1  118.8633015 +1     5     1    15
  H     1.02179036 +1  111.8177337 +1  120.4637512 +1     5     1    16