return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/3-21G*

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


Values greater than 1.70 are in the 1.70 bin. Values less than 1.10 are in the 1.10 bin.

histogram chart 30 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 25 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 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 line line line line line line
histogram chart 15 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 10 line line line 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
histogram chart 5 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 line line line line line line line line line
histogram chart 0 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 line line line line histogram chart 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 1.65 1.70
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.298 0.101

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.102
Highest value ClONO2 Chlorine nitrate 1.622

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.102 2 10
HCNO fulminic acid 1.251 1 2
C3H7ONO Propyl nitrite 1.561 4 5
    1.231 5 6
HNO2 Nitrous acid 1.423 2 3
    1.189 3 4
HNO2+ nitrous acid cation 1.423 2 3
    1.189 3 4
NH3O Ammonia Oxide 1.398 1 2
N2O- Nitrous oxide anion 1.262 2 3
N2O Nitrous oxide 1.262 2 3
N2O+ Nitrous oxide cation 1.262 2 3
NO- nitric oxide anion 1.362 1 2
    1.102 1 2
    1.364 1 2
NO Nitric oxide 1.362 1 2
    1.102 1 2
    1.364 1 2
NO+ nitric oxide cation 1.362 1 2
    1.102 1 2
    1.364 1 2
NO2- Nitrogen dioxide anion 1.360 1 2
    1.360 1 3
    1.170 1 2
    1.170 1 3
NO2 Nitrogen dioxide 1.360 1 2
    1.360 1 3
    1.170 1 2
    1.170 1 3
NO2+ Nitrogen dioxide cation 1.360 1 2
    1.360 1 3
    1.170 1 2
    1.170 1 3
N2O3 Dinitrogen trioxide 1.202 1 3
    1.271 2 4
    1.265 2 5
NO3- nitrate anion 1.313 1 2
    1.313 1 3
    1.313 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
NO3 Nitrogen trioxide 1.313 1 2
    1.313 1 3
    1.313 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
NO3+ nitrogen trioxide cation 1.313 1 2
    1.313 1 3
    1.313 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
    1.312 1 2
    1.312 1 3
    1.312 1 4
BrNO Nitrosyl bromide 1.206 1 3
HNO- Nitrosyl hydride anion 1.177 2 3
    1.398 2 3
HNO Nitrosyl hydride 1.177 2 3
    1.398 2 3
HNO+ Nitrosyl hydride cation 1.177 2 3
    1.398 2 3
ClONO2 Chlorine nitrate 1.622 2 3
    1.251 3 4
CNO- fulminate 1.321 1 3
BrONO Bromine nitrite 1.622 2 3
    1.217 3 4