Accuracy

di-n-butyl zinc   3716 Di-n-butyl zinc

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    #  Species Formula
  3706 Methyl zinc, cationCH3Zn
  3707 Ethyl zincC2H5Zn
  3708 Dimethyl zincC2H6Zn
  3709 Diethyl zincC4H10Zn
  3710 Diethylzinc (Geo)C4H10Zn
  3711 Zn(II)C4(2-) (LTMEZN) (Geo)C4H12Zn
  3712 Zn(II)C4(2-) (LTMEZN)C4H12Zn
  3713 Cyclopentadienylmethylzinc (Geo)C6H8Zn
  3714 Di-n-propyl zincC6H14Zn
  3715 Di-n-propylzinc (Geo)C6H14Zn
  3716 Di-n-butyl zinc C8H18Zn
  3717 Di-t-butyl zincC10H22Zn
  3718 Zn(II)N4(2+) (FUZCUY) (Geo)H12N4Zn
  3719 Zn(II)N4(2+) (FUZCUY)H12N4Zn
  3720 Zn(II)(En)3C6H24N6Zn
  3721 Zn(II)(En)3 (Geo)C6H24N6Zn
  3722 Zn(II)N6(2+) (CIBKIH) (Geo)C6H24N6Zn
  3723 Zn(II)N6(2+) (CIBKIH)C6H24N6Zn
  3724 Zn[(C6H9)(NH2)3]2(++)C12H30N6Zn
  3725 Zn[(C6H9)(NH2)3]2(++) (Geo)C12H30N6Zn
  3726 ZnN3O2C16H11N5O4Zn


ΔHf: -11.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
  
 PM7
Di-n-butyl zinc
 H=-11.9 D=0 HR=C&P1970 DR=MCC1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54279612 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51795668 +1  110.7526256 +1    0.0000000 +0     2     1     0
  C     4.01381883 +1  113.5635178 +1 -179.7434998 +1     3     2     1
  C     1.51781505 +1  113.4844692 +1  -48.4556750 +1     4     3     2
  C     1.54303602 +1  110.6825713 +1  179.7474856 +1     5     4     3
  C     1.52870094 +1  111.2687384 +1 -179.8330521 +1     6     5     4
 Zn     2.00703319 +1  113.3487550 +1 -179.8013180 +1     3     2     1
  H     1.10484751 +1  109.6270426 +1   58.0278232 +1     6     5     4
  H     1.10487544 +1  109.6172847 +1  -57.7101425 +1     6     5     4
  H     1.10690341 +1  111.0038145 +1   58.7083678 +1     5     4     3
  H     1.10681951 +1  110.9991385 +1  -59.1979307 +1     5     4     3
  H     1.09132241 +1  105.3477878 +1 -171.1599559 +1     4     3     2
  H     1.09136921 +1  105.5839571 +1   74.3489825 +1     4     3     2
  H     1.09081710 +1  111.7887428 +1   61.1302407 +1     3     2     1
  H     1.09071964 +1  111.8298418 +1  -60.7546854 +1     3     2     1
  H     1.10693149 +1  108.9013758 +1  122.3020246 +1     2     1     3
  H     1.10686560 +1  108.8714001 +1 -122.3013013 +1     2     1     3
  C     1.52864187 +1  111.2722947 +1 -179.9856698 +1     1     2     3
  H     1.10486019 +1  109.6205368 +1   57.8811847 +1     1     2     3
  H     1.10490424 +1  109.6219076 +1  -57.8419331 +1     1     2     3
  H     1.09525755 +1  111.3612876 +1  -59.9699784 +1     7     6     5
  H     1.09526838 +1  111.2575744 +1 -179.9498870 +1     7     6     5
  H     1.09525715 +1  111.3615237 +1   60.0739770 +1     7     6     5
  H     1.09525297 +1  111.3561414 +1  -60.1884510 +1    19     1     2
  H     1.09527075 +1  111.2607445 +1  179.8360716 +1    19     1     2
  H     1.09528816 +1  111.3635206 +1   59.8551218 +1    19     1     2