Accuracy

zirconium(i) chloride   4672 Zirconium(I) chloride

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    #  Species Formula
  4662 Zr(IV)(Cp)2F2 (FDCPZR)C10H10F2Zr
  4663 Zirconium(IV) oxide difluorideOF2Zr
  4664 Zirconium(IV) oxide difluoride (Geo)OF2Zr
  4665 Zirconium trifluorideF3Zr
  4666 Zirconium tetrafluorideF4Zr
  4667 Zirconium tetrafluoride (Geo)F4Zr
  4668 Zirconium hexafluoride, dianion (Geo)F6Zr
  4669 Zr(CH2Si(Me)3)4C16H44Si4Zr
  4670 Zr(II)(Cp)2P2 (FICZEW) (Geo)C16H28P2Zr
  4671 Zirconium chlorideClZr
  4672 Zirconium(I) chloride ClZr
  4673 Zirconium(I) chloride (Geo)ClZr
  4674 Zr(IV)(Cp)2O2Cl (CUBZOO) (Geo)C10H10NO3ClZr
  4675 Zr(IV)(Cp)2O2Cl (CUBZOO)C10H10NO3ClZr
  4676 Zr(IV)(Cp)2ClOS (BUWMAH) (Geo)C13H16NOSClZr
  4677 Zr(IV)(Cp)2ClOS (BUWMAH)C13H16NOSClZr
  4678 Zirconium dichlorideCl2Zr
  4679 Bicyclopentadienyl zirconium dichlorideC10H10Cl2Zr
  4680 Zr(IV)(Cp)2Cl2 (CPDCZR) (Geo)C10H10Cl2Zr
  4681 Zirconium(IV) oxide dichlorideOCl2Zr
  4682 Zirconium(IV) oxide dichloride (Geo)OCl2Zr


Dipole: 3.7 Debye,     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.: 4.0 eV,     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.
  
 PM7
Zirconium(I) chloride
 I=3.98 IR=PW91D D=3.70 DR=PW91D
 Zr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.33423174 +1    0.0000000 +0    0.0000000 +0     1     0     0