Details

Autor(en) / Beteiligte

• Bernath, Peter F
• Bittner, Dror M
• Sibert III, Edwin L

Titel

Isobutane Infrared Bands: Partial Rotational Assignments, ab Initio Calculations, and Local Mode Analysis

Ist Teil von

• The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-07, Vol.123 (29), p.6185-6193

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2019

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• High-resolution infrared spectra of the symmetric top isobutane CH­(CH3)3 were assigned with the help of ab initio calculations. The strong parallel band ν5(a1) with an origin at 1396.54741(76) cm–1 and the ν4(a1) mode, the CH2 scissors, at 1478.20363(41) cm–1 were rotationally analyzed. The bands in the C–H stretching region were assigned with the help of an anharmonic calculation and a local mode analysis.