Accuracy

manganese(i) chloride   3293 Manganese(I) chloride

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

    

    #  Species Formula
  3283 Manganese(III) phosphide (Geo)PMn
  3284 Manganese(II) sulfideSMn
  3285 Manganese(II) sulfide (Geo)SMn
  3286 Mn(CO)2SCp (VALXAI) (Geo)C9H11O2SMn
  3287 Mn(CO)2SCp (VALXAI)C9H11O2SMn
  3288 Mn(CO)2CpS (CPCSMN) (Geo)C7H5O4SMn
  3289 Mn(CO)2CpS (CPCSMN)C7H5O4SMn
  3290 Mn(II)S2O4 (WIFSEJ) (Geo)C4H8N2O6S2Mn
  3291 Mn(III)S4N(-) (COWHOL) (Geo)C7H12N2S4Mn
  3292 Mn(III)S4N(-) (COWHOL)C7H12N2S4Mn
  3293 Manganese(I) chloride ClMn
  3294 Manganese(I) chloride (Geo)ClMn
  3295 Mn(CO)5Cl (ZOSWEJ) (Geo)C5O5ClMn
  3296 Mn(CO)5ClC5O5ClMn
  3297 Mn(CO)3ClS2 (GEQLUJ) (Geo)C7H10O3S2ClMn
  3298 Mn(CO)3ClS2 (GEQLUJ)C7H10O3S2ClMn
  3299 Manganese(IV) oxide dichloride (Geo)OCl2Mn
  3300 Mn(II)Cl2N4 (MUPYUR) (Geo)C12H12N4O2Cl2Mn
  3301 Mn(II)(H2O)4Cl2(trans)H8O4Cl2Mn
  3302 Mn(II)(H2O)4Cl2(trans) (Geo)H8O4Cl2Mn
  3303 Mn2(Ac)4C8H12O8Mn2


Dipole: 4.6 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.: 4.8 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
Manganese(I) chloride
 I=4.754 IR=PW91D D=4.563 DR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mn     2.23179298 +1    0.0000000 +0    0.0000000 +0     1     0     0