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Compare Calculated Bonds for B-B

17 01 10 14 40

HF/6-31G(2df,p)

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.30 are in the 2.30 bin. Values less than 1.10 are in the 1.10 bin.

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histogram chart 2 line line line line line line line line line line line line line line line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line
histogram chart 1 line line line line line line line line line line line line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line
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1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.737 0.192

  Species Name Bond Length (Å)
Lowest value B5H9 pentaborane9 1.178
Highest value B2+ Boron diatomic cation 2.235

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
B2 Boron diatomic 1.637 1 2
B2+ Boron diatomic cation 2.235 1 2
HBBH Diborane(2) 1.497 1 2
HBHHBH Diborane(4) C2V 1.457 1 2
B2H4 Diborane(4) D2d 1.677 1 2
B2H6+ Diborane cation 1.759 1 2
B2O2 Diboron dioxide 1.660 1 2
B4H10 Tetraborane(10) 1.745 1 2
    1.897 1 3
    1.897 1 4
    1.897 2 3
    1.897 2 4
B5H9 pentaborane9 1.178 1 2
    1.705 1 3
    1.705 1 4
    1.705 1 5
    1.705 1 6
    1.813 3 4
    1.813 3 6
    1.813 4 5
    1.813 5 6
B2F4 Diboron tetrafluoride 1.739 1 2
B2Cl4 Diboron tetrachloride 1.707 1 2