Table 4: Natural atomic charges and Wiberg bond index of NO in the three [RuCl(QN)NO] complexes.

MoleculePeak position/cm−1(exp)Atomic chargeWiberg bond index
NORu-NN-O

[RuCl(hqn)NO]1839.400.454−0.2101.65031.8449
[RuCl(2mqn)NO]1844.010.451−0.2081.64081.8501
[RuCl(2cqn)NO]1856.550.467−0.1891.62511.8757