return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

QCISD(T)/cc-pVTZ

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.10 are in the 1.10 bin.

histogram chart 25 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 20 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 line line line
histogram chart 15 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 line line line
histogram chart 10 line line line line histogram chart 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
histogram chart 5 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 line line line
histogram chart 0 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 histogram chart line line line line line line line
1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.245 0.095

  Species Name Bond Length (Å)
Lowest value NO2- Nitrogen dioxide anion 1.127
Highest value BrONO Bromine nitrite 1.501

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2NO3+ Nitric Acid, Protonated 1.173 1 2
    1.317 1 3
    1.317 1 4
HNO2+ nitrous acid cation 1.310 2 3
HNO2 Nitrous acid 1.310 2 3
    1.143 3 4
HNO2+ nitrous acid cation 1.143 3 4
N2O+ Nitrous oxide cation 1.200 2 3
N2O Nitrous oxide 1.200 2 3
N2O- Nitrous oxide anion 1.200 2 3
NO- nitric oxide anion 1.277 1 2
    1.277 1 2
    1.159 1 2
NO Nitric oxide 1.277 1 2
    1.277 1 2
    1.159 1 2
NO+ nitric oxide cation 1.277 1 2
    1.277 1 2
    1.159 1 2
NO2- Nitrogen dioxide anion 1.268 1 2
    1.127 1 2
NO2 Nitrogen dioxide 1.268 1 2
NO2+ Nitrogen dioxide cation 1.127 1 2
NO2 Nitrogen dioxide 1.127 1 2
NO2+ Nitrogen dioxide cation 1.268 1 2
    1.268 1 3
NO2 Nitrogen dioxide 1.127 1 3
NO2+ Nitrogen dioxide cation 1.127 1 3
NO2 Nitrogen dioxide 1.268 1 3
NO2- Nitrogen dioxide anion 1.127 1 3
    1.268 1 3
NO3- nitrate anion 1.142 1 2
    1.239 1 2
NO3 Nitrogen trioxide 1.142 1 2
    1.239 1 2
NO3+ nitrogen trioxide cation 1.142 1 2
    1.239 1 2
    1.239 1 3
    1.327 1 3
NO3 Nitrogen trioxide 1.239 1 3
    1.327 1 3
NO3- nitrate anion 1.239 1 3
    1.327 1 3
    1.327 1 4
    1.239 1 4
NO3 Nitrogen trioxide 1.327 1 4
    1.239 1 4
NO3+ nitrogen trioxide cation 1.327 1 4
    1.239 1 4
BrNO Nitrosyl bromide 1.144 1 3
HNO+ Nitrosyl hydride cation 1.340 2 3
HNO Nitrosyl hydride 1.132 2 3
    1.340 2 3
HNO+ Nitrosyl hydride cation 1.132 2 3
HNO- Nitrosyl hydride anion 1.132 2 3
    1.340 2 3
HOONO2 peroxy nitric acid 1.497 1 2
    1.196 1 4
    1.196 1 5
NH3O Ammonia Oxide 1.369 1 2
BrONO Bromine nitrite 1.501 2 3
    1.162 3 4
ONONO Nitrosyl nitrite 1.488 1 2
    1.488 1 3
    1.166 2 4
    1.166 3 5