return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for H-Al

17 01 10 14 40

BLYP/6-31G

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


Values greater than 2.05 are in the 2.05 bin. Values less than 1.45 are in the 1.45 bin.

histogram chart 9 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 8 line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 7 line line line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 6 line line line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 5 line line line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line line line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 3 line line line line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 1 line line line line histogram chart line line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 0 line line line line histogram chart line line line line line histogram chart line line histogram chart 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 line histogram chart line
1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00 2.05
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.665 0.117

  Species Name Bond Length (Å)
Lowest value AlH3 aluminum trihydride 1.485
Highest value AlH3+ aluminum trihydride cation 2.064

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
AlH aluminum monohydride 1.722 1 2
AlH2- aluminum dihydride anion 1.756 1 2
    1.756 1 3
AlH2 aluminum dihydride 1.640 1 2
    1.640 1 3
AlH2+ aluminum dihydride cation 1.581 1 2
    1.581 1 3
AlH3- aluminum trihydride anion 1.669 1 2
    1.669 1 3
    1.669 1 4
AlH3 aluminum trihydride 1.485 1 2
    1.485 1 3
    1.485 1 4
AlH3+ aluminum trihydride cation 2.064 1 2
    1.589 1 3
    1.589 1 4
AlH4- Aluminum tetrahydride anion 1.671 1 2
    1.671 1 3
    1.671 1 4
    1.671 1 5
Al2H6 dialane 1.788 1 3
    1.788 2 3
    1.788 2 4
    1.788 1 4
    1.599 1 5
    1.599 1 6
    1.599 2 7
    1.599 2 8