Accuracy

(c2h4)(po4h)-ome anion   2008 (C2H4)(PO4H)-OMe, anion

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

    

    #  Species Formula
  1998 Methyl ethyl phosphate anionC3H8O4P
  1999 Trimethyl phosphate (Geo)C3H9O4P
  2000 Trimethyl phosphateC3H9O4P
  2001 Triethyl phosphateC6H15O4P
  2002 Li(I)O4P (CEJQAJ) (Geo)H22LiC8O4P
  2003 Tri-n-butyl phosphateC12H27O4P
  2004 Triphenyl phosphateC18H15O4P
  2005 PO(OCN)3C3N3O4P
  2006 PO(OCN)3 (Geo)C3N3O4P
  2007 (C2H4)(PO4H2)-OHC2H7O5P
  2008 (C2H4)(PO4H)-OMe, anion C3H8O5P
  2009 Phosphorus monofluoride (triplet)FP
  2010 CH2=P-FCH2FP
  2011 CH2=P-F (Geo)CH2FP
  2012 FPOOFP
  2013 Phosphorus difluorideF2P
  2014 OPF2OF2P
  2015 MethylphosphonodifluorideCH3OF2P
  2016 Phosphorus trifluoride (Geo)F3P
  2017 Phosphorus trifluorideF3P
  2018 PH3-BF3 (Geo)H3BF3P


ΔHf: -328.6 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
(C2H4)(PO4H)-OMe, anion
 H=-328.6 HR=PW91D
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.49292473 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.64754130 +1  126.7264592 +1    0.0000000 +0     1     2     0
  C     1.55371801 +1   73.7183499 +1   81.4534088 +1     3     1     2
  O     1.73333317 +1   99.6334772 +1 -123.4190854 +1     1     2     3
  O     1.41720354 +1   34.2771124 +1 -179.3916709 +1     3     1     4
  O     1.65155241 +1  120.1427324 +1  -89.8757445 +1     1     2     5
  O     1.40294608 +1  106.7788038 +1   -7.9462905 +1     4     3     1
  H     1.10253932 +1  121.5682486 +1   72.5644822 +1     3     1     6
  H     1.10291229 +1  120.7401990 +1 -145.8990473 +1     3     1     9
  C     1.41050114 +1  125.0690578 +1   57.7179425 +1     5     1     2
  H     1.10438651 +1  112.3902964 +1  119.9161167 +1     4     3     8
  H     1.10383878 +1  112.6025842 +1  124.2037946 +1     4     3    12
  H     1.01910572 +1  108.8739323 +1   85.5926715 +1     7     1     2
  H     1.09763999 +1  111.0546853 +1   80.0344703 +1    11     5     1
  H     1.10071186 +1  102.7871263 +1  117.3118612 +1    11     5    15
  H     1.09767399 +1  114.2814834 +1  118.0209472 +1    11     5    16