Besides thermodynamic information, vibration can identify modes of a molecule by comparison of the spectroscopy and parameterize force field. By the application of group theory with the state of projection operators, a systematic method for getting the vibration model of molecule the zigzag single-walled Boron nitride nanotube (BNNT) with (8, 0) structure was proposed. The combination and their normalization coefficients of (8, 0) nanotube in C_6V point group was calculated, and the effect of dielectric constants on the mechanism of these vibrations in nanotubes was studied. Normal mode analysis in chemistry was originally developed for describing the vibrational spectra of molecules, even though the interpretation is often in terms analysis is not very large. We found that in the high dielectric the frequency of vibration has alternative behavior, but by decreasing the dielectric this behavior changed to stable situation of geometry.

A computational study based on density functional theory calculations was performed to investigate the potential possibility of using Zn₁₂O₁₂ fullerene-like cage as an electronic sensor for SO₂ detection. For adsorption of SO₂ on the Zn₁₂O₁₂ nanocage, three stable configurations were identified. The energy gap of Zn₁₂O₁₂ nanocage is very sensitive to the presence of SO₂ molecule. The energy gap decreases from 4.19 eV in the free nanocage to 1.88 eV in the SO₂-adsorbed form. This phenomenon increases the electrical conductivity of the nanocage. Considerable changes in the highest occupied molecular orbital/lowest unoccupied molecular orbital energy gap, short recovery time, high sensitivity, high electrical conductivity and also energetic favourability of the Zn₁₂O₁₂ nanocage suggest that Zn₁₂O₁₂ may be a potential sensor for SO₂ detection.