Accuracy

aluminum hydroxide, cation   1815 Aluminum hydroxide, cation

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

   

    #  Species Formula
  1805 TriethylaluminumC6H15Al
  1806 Aluminum nitrideNAl
  1807 Al(III)C3N (LINZOX) (Geo)C3H12NAl
  1808 Al(III)C3N (LINZOX)C3H12NAl
  1809 Al(III)C3N (ANTMAL) (Geo)C5H12NAl
  1810 Al(III)C3N (ANTMAL)C5H12NAl
  1811 Aluminum oxide, cationOAl
  1812 AlOOAl
  1813 AlO (Geo)OAl
  1814 Aluminum oxide, anionOAl
  1815 Aluminum hydroxide, cation HOAl
  1816 Aluminum hydroxideHOAl
  1817 H-Al=OHOAl
  1818 Aluminum hydroxide, anionHOAl
  1819 Aluminum dioxideO2Al
  1820 Aluminum dioxide, anionO2Al
  1821 Aluminum oxide hydroxideHO2Al
  1822 Al(III)C3O(-) (AACMAL) (Geo)C5H12O2Al
  1823 Al(III)C3O(-) (AACMAL)C5H12O2Al
  1824 Al(III)(H2O)4(OH)2H10O6Al
  1825 Al(III)(H2O)4(OH)2 (Geo)H10O6Al


ΔHf: 171.0 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=1 PM7
Aluminum hydroxide, cation
 H=171 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.58218053 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.94908967 +1  179.9948677 +1  180.0000000 +0     2     1     0