return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

QCISD/6-31G**

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.05 are in the 1.05 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 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
histogram chart 15 line line line line line 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 line line
histogram chart 10 line line line line line 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 line line
histogram chart 5 line line 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 histogram chart 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 histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line
1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.257 0.094

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.084
Highest value BrONO Bromine nitrite 1.484

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2OH hydroxylamine 1.450 1 2
C3H7ONO Propyl nitrite 1.418 4 5
    1.423 4 5
C2H5NO3 Nitric acid, ethyl ester 1.211 1 3
H2NO3+ Nitric Acid, Protonated 1.320 1 4
NO3- nitrate anion 1.292 1 2
NO3 Nitrogen trioxide 1.292 1 2
NO3+ nitrogen trioxide cation 1.292 1 2
NO3- nitrate anion 1.151 1 2
NO3 Nitrogen trioxide 1.151 1 2
NO3+ nitrogen trioxide cation 1.151 1 2
NO3- nitrate anion 1.234 1 2
NO3 Nitrogen trioxide 1.234 1 2
NO3+ nitrogen trioxide cation 1.234 1 2
NO- nitric oxide anion 1.289 1 2
NO Nitric oxide 1.289 1 2
NO+ nitric oxide cation 1.289 1 2
NO- nitric oxide anion 1.287 1 2
NO Nitric oxide 1.287 1 2
NO+ nitric oxide cation 1.287 1 2
NO- nitric oxide anion 1.084 1 2
NO Nitric oxide 1.084 1 2
NO+ nitric oxide cation 1.084 1 2
NO2- Nitrogen dioxide anion 1.274 1 3
NO2 Nitrogen dioxide 1.274 1 3
NO2+ Nitrogen dioxide cation 1.274 1 3
NO2- Nitrogen dioxide anion 1.135 1 3
NO2 Nitrogen dioxide 1.135 1 3
NO2+ Nitrogen dioxide cation 1.135 1 3
N2O3 Dinitrogen trioxide 1.214 2 4
ClONO2 Chlorine nitrate 1.472 2 3
    1.205 3 5
BrONO Bromine nitrite 1.177 3 4
ONONO Nitrosyl nitrite 1.179 3 5
CH3CHNOH Acetaldoxime 1.416 3 4
HNO2 Nitrous acid 1.424 2 3
HNO2+ nitrous acid cation 1.424 2 3
HNO2 Nitrous acid 1.312 2 3
HNO2+ nitrous acid cation 1.312 2 3
H2NO3+ Nitric Acid, Protonated 1.320 1 3
NO3- nitrate anion 1.229 1 3
NO3 Nitrogen trioxide 1.229 1 3
NO3+ nitrogen trioxide cation 1.229 1 3
NO3- nitrate anion 1.331 1 3
NO3 Nitrogen trioxide 1.331 1 3
NO3+ nitrogen trioxide cation 1.331 1 3
NO3- nitrate anion 1.234 1 3
NO3 Nitrogen trioxide 1.234 1 3
NO3+ nitrogen trioxide cation 1.234 1 3
HOONO2 peroxy nitric acid 1.205 1 4
N2O Nitrous oxide 1.225 2 3
N2O+ Nitrous oxide cation 1.225 2 3
N2O- Nitrous oxide anion 1.225 2 3
C2H6N2O2 (E)-Azodioxymethane 1.277 2 4
NH3O Ammonia Oxide 1.374 1 2
ONONO Nitrosyl nitrite 1.476 1 3
HNO2 Nitrous acid 1.188 3 4
HNO2+ nitrous acid cation 1.188 3 4
HNO2 Nitrous acid 1.159 3 4
HNO2+ nitrous acid cation 1.159 3 4
C6H5NO2 Nitrobenzene 1.233 7 8
NO3- nitrate anion 1.229 1 4
NO3 Nitrogen trioxide 1.229 1 4
NO3+ nitrogen trioxide cation 1.229 1 4
NO3- nitrate anion 1.331 1 4
NO3 Nitrogen trioxide 1.331 1 4
NO3+ nitrogen trioxide cation 1.331 1 4
C2H5NO3 Nitric acid, ethyl ester 1.220 1 4
H2NO3+ Nitric Acid, Protonated 1.181 1 2
BrNO Nitrosyl bromide 1.156 1 3
NO3- nitrate anion 1.234 1 4
NO3 Nitrogen trioxide 1.234 1 4
NO3+ nitrogen trioxide cation 1.234 1 4
NO2- Nitrogen dioxide anion 1.274 1 2
NO2 Nitrogen dioxide 1.274 1 2
NO2+ Nitrogen dioxide cation 1.274 1 2
NO2- Nitrogen dioxide anion 1.135 1 2
NO2 Nitrogen dioxide 1.135 1 2
NO2+ Nitrogen dioxide cation 1.135 1 2
N2O3 Dinitrogen trioxide 1.163 1 3
    1.213 2 5
HNO- Nitrosyl hydride anion 1.340 2 3
HNO Nitrosyl hydride 1.340 2 3
HNO+ Nitrosyl hydride cation 1.340 2 3
HNO- Nitrosyl hydride anion 1.147 2 3
HNO Nitrosyl hydride 1.147 2 3
HNO+ Nitrosyl hydride cation 1.147 2 3
CNO- fulminate 1.289 1 3
ONONO Nitrosyl nitrite 1.476 1 2
    1.179 2 4
C3H7ONO Propyl nitrite 1.191 5 6
    1.189 5 6
C6H5NO2 Nitrobenzene 1.233 7 9
HCNO fulminic acid 1.223 1 2
C2H5NO3 Nitric acid, ethyl ester 1.401 1 2
HOONO2 peroxy nitric acid 1.476 1 2
    1.205 1 5
ClONO2 Chlorine nitrate 1.203 3 4
C2H6N2O2 (E)-Azodioxymethane 1.277 1 3
BrONO Bromine nitrite 1.484 2 3