TY - JOUR
T1 - Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations
AU - Venceslau, Susana Isabel dos Santos Silva Sério
AU - Nunes, Yuri Fonseca da Silva
AU - Limão-vieira, Paulo Manuel Assis Loureiro
N1 - Sem PDF conforme despacho
PY - 2012/1/1
Y1 - 2012/1/1
N2 - We present high resolution VUV photoabsorption spectra of 1,4-pentadiene, C(5)H(8), over the wavelength range 115-247 nm (10.8-5.0 eV). These spectra reveal several new features not previously reported in the literature. These measurements are complemented by the first ab initio calculations for the three most abundant conformational isomers of 1,4-pentadiene, C(5)H(8), which we then use in the assignment of valence and Rydberg transitions. Calculations of the two lowest energy ionic states of 1,4-pentadiene are also presented and compared with the experimental data available in the literature. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of 1,4-pentadiene in the upper stratosphere (20-50 km).
AB - We present high resolution VUV photoabsorption spectra of 1,4-pentadiene, C(5)H(8), over the wavelength range 115-247 nm (10.8-5.0 eV). These spectra reveal several new features not previously reported in the literature. These measurements are complemented by the first ab initio calculations for the three most abundant conformational isomers of 1,4-pentadiene, C(5)H(8), which we then use in the assignment of valence and Rydberg transitions. Calculations of the two lowest energy ionic states of 1,4-pentadiene are also presented and compared with the experimental data available in the literature. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of 1,4-pentadiene in the upper stratosphere (20-50 km).
U2 - 10.1021/jp305905j
DO - 10.1021/jp305905j
M3 - Article
C2 - 22849371
SN - 1520-5215
VL - 116
SP - 8176
EP - 8184
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 31
ER -