Accuracy

cyclopentadienylberyllium hydride    169 Cyclopentadienylberyllium hydride

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    #  Species Formula
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   163 trans-2-PenteneC5H10
   164 IsopentaneC5H12
   165 n-PentaneC5H12
   166 Neopentane (Geo)C5H12
   167 NeopentaneC5H12
   168 Lithium cyclopentadienide (Geo)H5LiC5
   169 Cyclopentadienylberyllium hydride H6BeC5
   170 C6H5 radicalC6H5
   171 BenzeneC6H6
   172 Benzene (Geo)C6H6
   173 FulveneC6H6
   174 Fulvene (Geo)C6H6
   175 (E)-1,3,5-HexatrieneC6H8
   176 (Z)-1,3,5-HexatrieneC6H8
   177 1,3-CyclohexadieneC6H8
   178 1,4-CyclohexadieneC6H8
   179 1,2-DimethylcyclobuteneC6H10


Dipole: 2.1 Debye,     REF: T. Bartke, A. Bjorseth, A. Haaland, K. M. Marstokk, H. Mollendal, J. Organomet. Chem., 85, 271 (1975).
I.P.: 9.6 eV,     REF: M. J. S. Dewar, H. S. Rzepa, J. Am. Chem. Soc., 100, 777 (1989).
  
 PM7
Cyclopentadienylberyllium hydride
 I=9.64 IR=DR1978 D=2.08 DR=BBHM1975
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.31595363 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.17340448 +1   69.8886738 +1    0.0000000 +0     2     1     0
  C     1.09297227 +1  147.8603950 +1    7.7783328 +1     2     1     3
  C     1.32880807 +1   65.5059598 +1  176.2718002 +1     2     1     3
  C     1.19786719 +1  134.1454993 +1  171.4384113 +1     2     1     3
  H     1.07059953 +1  173.5404686 +1   58.1845061 +1     1     2     3
  H     1.07054723 +1  172.0634904 +1 -138.4837918 +1     3     2     1
  H     1.07062246 +1  174.5946874 +1  -89.3372294 +1     4     2     1
  H     1.07056774 +1  174.1572995 +1  121.3002315 +1     5     2     1
  H     1.07058911 +1  171.8579193 +1  141.5473685 +1     6     2     1
 Be     1.58806088 +1   83.7371769 +1   90.7596383 +1     2     1     3
  H     1.28401305 +1  174.9358507 +1 -142.4310874 +1    12     2     1