Accuracy

difluoromethyl, cation   1541 Difluoromethyl, cation

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

    

    #  Species Formula
  1531 Hydrogen fluoride dimer (Geo)H2F2
  1532 Lithium fluoride dimer (Geo)Li2F2
  1533 Lithium fluoride, dimerLi2F2
  1534 Beryllium difluoride (Geo)BeF2
  1535 Beryllium difluorideBeF2
  1536 BHF2HBF2
  1537 HBF2 (Geo)HBF2
  1538 Difluoroborane (1)HBF2
  1539 Difluoromethylene (Geo)CF2
  1540 DifluoromethyleneCF2
  1541 Difluoromethyl, cation HCF2
  1542 Difluoromethane, cationCH2F2
  1543 DifluoromethaneCH2F2
  1544 DifluoromethylboraneH3BCF2
  1545 MethyldifluoroboraneH3BCF2
  1546 DifluoroacetyleneC2F2
  1547 gem-DifluoroethyleneC2H2F2
  1548 CH3CF2, cationC2H3F2
  1549 1,1-DifluoroethaneC2H4F2
  1550 F2BCHCH2H3BC2F2
  1551 1,2-DifluorobenzeneC6H4F2


ΔHf: 142.4 kcal/mol,     REF: R. J. Blint, T. B. McMahon, J. L. Beauchamp, J. Am. Chem. Soc., 96, 1269 (1974).
  
 CHARGE=1 PM7
Difluoromethyl, cation
 H=142.4 HR=BMB1974
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.14274716 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.27405340 +1  124.8738304 +1    0.0000000 +0     2     1     0
  F     1.27406201 +1  124.8012324 +1 -179.9998501 +1     2     1     3