Accuracy

carbon diselenide   4087 Carbon diselenide

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

    

    #  Species Formula
  4077 Carbon sulfide selenide (Geo)CSSe
  4078 Thiocarbonyl selenideCSSe
  4079 Selenium dichloride (Geo)Cl2Se
  4080 Selenium dichlorideCl2Se
  4081 Selenyl chloride (Geo)OCl2Se
  4082 SeCl6(=) (Geo)Cl6Se
  4083 Zinc selenideZnSe
  4084 Germanium selenideGeSe
  4085 Germanium selenide (Geo)GeSe
  4086 Arsenic selenideAsSe
  4087 Carbon diselenide CSe2
  4088 Me-Se-Se-Me (Geo)C2H6Se2
  4089 (C6H5)-Se-Se-(C6H5)C12H10Se2
  4090 C6H5-CH2-Se-Se-CH2-C6H5C14H14Se2
  4091 ClSeSeClCl2Se2
  4092 Diselenium dichloride (Geo)Cl2Se2
  4093 Mn(CO)3ClSe2 (GONTIM) (Geo)C7H10O3ClMnSe2
  4094 Tetramethyldiselenagermacyclohexane (Geo)C7H16GeSe2
  4095 Selenium, trimerSe3
  4096 P4Se3 (Geo)P4Se3
  4097 Se4Cl16Cl16Se4


ΔHf: 51.0 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.
I.P.: 9.2 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
Carbon diselenide
 H=51.0 HR=PW91D I=9.25 IR=LLNBS82
 
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.63289666 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Se     1.63289666 +0  179.9997056 +1  180.0000000 +0     2     1     0
 
   2  1    3