Mean excitation energy hydrogen bond

Table 5.8 Mean excitation energies of some hydrogen-bonded species...

Noncovalent interactions, such as hydrogen bonds, can qualitatively affect the electronic structure and properties of molecules embedded in molecular environments. Among such properties, electronic excitation energies are of particular interest because of the wide use of organic chromophores as probes in various environments [1 ]. Typically, hydrogen bonding results in shifts in the positions of absorption and emission bands anywhere between a few hundred and about 3,000 cm [5], This means that if one is to use computer modeling for interpretation of experimental data, the errors of the calculated shifts must be very small, on the order of 100 cm or less. 

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