The Relation Between the Internuclear Distances and Force Constants of Molecules and Its Application to Polyatomic Molecules

Abstract

The relation between the internuclear distances and force constants found for diatomic molecules is discussed, and is shown to carry over to polyatomic molecules. It is shown that internuclear distances of polyatomic molecules can be predicted from vibrational data alone, with considerable accuracy.

Structural and spectroscopic studies on the alkali borohydrides MBH4 (M = Na, K, Rb, Cs)

“…Tables 4 and 5 11 B splitting would have to be null for the symmetric ν 1 and ν 2 modes) can be attributed to resonating mixtures between ν 1 and 2ν 4 (A 1 ) vibrations of these bands [15][16][17]. Finally, the spectroscopic data are in perfect agreement with the structural data at room temperature as can be seen from Badger's rule [27] Fig. 4).…”

Structural and Spectroscopic Studies on the Alkali Borohydrides MBH4 (M: Na, K, Rb, Cs).

“…Because of the presence of natural boron in the samples 10 B to 11 B shifts (expected for asymmetric ν 3 and ν 4 modes) are observed in the spectra with a more intense 11 B component (compared to the shifted 10 11 B splitting would have to be null for the symmetric ν 1 and ν 2 modes) can be attributed to resonating mixtures between ν 1 and 2ν 4 (A 1 ) vibrations of these bands [15][16][17]. Finally, the spectroscopic data are in perfect agreement with the structural data at room temperature as can be seen from Badger's rule [27] Fig. 4).…”

Raman and Infrared Spectroscopic Studies on Li₄RuH₆ Combined with First-Principles Calculations

“…5. It is clearly seen that the peak frequencies decrease with increasing RuH bond distances and, following Badger's rule, 26,27) Fig. 1, and the ones in MB 2 RuH 6 by edge-sharing.…”