Naslov
On the vibrational interlacing rule in linear and planar molecules

Autori
Živković, Tomislav P

Izvornik
Croatica Chemica Acta (0011-1643) 75 (2002), 4; 945-956

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Sažetak
If A and B are two molecules that differ by a single isotopic substitution then in the harmonic approximation vibrational frequencies of molecule A are interlaced with vibrational frequencies of molecule B . This interlacing rule is a generalization of the well known order rule. Interlacing rule is particularly simple in the case of stretching and bending vibrations of linear molecules as well as in the case of out-of-plane vibrations of planar molecules. The validity of the interlacing rule for those vibrations is demonstrated with few examples. Violation of this rule indicates either (very unlikely) strong anharmonicity effects, or (more likely) erroneous vibrational assignments. Hence this rule can help in the analyze of vibrational spectra, in particular in the assignments of experimental frequencies to various vibrational types.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA