Accuracy

trifluoromethane   1584 Trifluoromethane

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    #  Species Formula
  1574 B3O3HF2HB3O3F2
  1575 Lithium fluoride, trimerLi3F3
  1576 Lithium trifluoroberyllateLiBeF3
  1577 Boron trifluoride (Geo)BF3
  1578 Boron trifluorideBF3
  1579 Trifluoromethyl, cationCF3
  1580 TrifluoromethylCF3
  1581 Trifluoromethyl, anionCF3
  1582 Trifluoromethane, cationHCF3
  1583 Trifluoromethane (Geo)HCF3
  1584 Trifluoromethane HCF3
  1585 TrifluoroethyleneHC2F3
  1586 CF3CH2, cationC2H2F3
  1587 CH2F.CF2, cationC2H2F3
  1588 CF3CH2.C2H2F3
  1589 1,1,1-TrifluoroethaneC2H3F3
  1590 (Trifluoromethyl)-benzeneC7H5F3
  1591 TrifluoromethylbenzeneC7H5F3
  1592 Nitrogen trifluoride (Geo)NF3
  1593 Nitrogen trifluorideNF3
  1594 Trifluoroacetonitrile (Geo)C2NF3


ΔHf: -166.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.7 Debye,     REF: C. S. Wofsy, J. S. Muenter, W. Klemperer, J. Chem. Phys., 55, 2014 (1971).
I.P.: 14.8 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Trifluoromethane
 I=14.8 IR=LLNBS82 D=1.65 HR=C&P1970 H=-166.3 DR=WMK1971
 
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.13432926 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33420501 +1  114.0912247 +1    0.0000000 +0     2     1     0
  F     1.33420501 +0  114.0537694 +1 -119.9794618 +1     2     1     3
  F     1.33420501 +0  114.0861652 +1  120.0261229 +1     2     1     3
 
   3  1    4    5