Accuracy

ethylene phosphate anion   1412 Ethylene phosphate anion

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

    

    #  Species Formula
  1402 Phosphorus dioxideO2P
  1403 Methylphosphonic acidCH5O3P
  1404 Ethylphosphonic acidC2H7O3P
  1405 Trimethyl phosphiteC3H9O3P
  1406 Triethyl phosphiteC6H15O3P
  1407 Di-isopropyl ethylphosphonateC8H19O3P
  1408 Tri-isopropyl phosphiteC9H21O3P
  1409 Methyl phosphate anionCH4O4P
  1410 Methyl phosphateCH5O4P
  1411 Ethylene phosphate anion (Geo)C2H4O4P
  1412 Ethylene phosphate anion C2H4O4P
  1413 (C2H4)PO4HC2H5O4P
  1414 Ethylene phosphateC2H5O4P
  1415 Dimethyl phosphate anion (Geo)C2H6O4P
  1416 Dimethyl phosphate anionC2H6O4P
  1417 Dimethyl hydrogen phosphateC2H7O4P
  1418 Dimethyl hydrogen phosphate (Geo)C2H7O4P
  1419 Methyl ethyl phosphate anionC3H8O4P
  1420 Trimethyl phosphate (Geo)C3H9O4P
  1421 Trimethyl phosphateC3H9O4P
  1422 Triethyl phosphateC6H15O4P


ΔHf: -274.2 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
Ethylene phosphate anion
 H=-274.2 HR=PW91D
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.47841135 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.58320886 +1  116.9929452 +1    0.0000000 +0     1     2     0
  C     1.55357325 +1   72.5145969 +1   99.3600441 +1     3     1     2
  O     1.42076967 +1   36.4589420 +1 -179.7344372 +1     3     1     4
  O     1.47827250 +1  123.5342700 +1 -160.3016977 +1     1     2     3
  O     1.42126665 +1  108.9174966 +1   -0.3790087 +1     4     3     1
  H     1.10484474 +1  122.0224054 +1   73.7036523 +1     3     1     5
  H     1.10495697 +1  121.7389566 +1 -147.8209575 +1     3     1     8
  H     1.10492662 +1  112.7087913 +1  117.9494878 +1     4     3     7
  H     1.10508195 +1  112.6656183 +1  124.3529013 +1     4     3    10