Limão-Vieira P, Duflot D, Giuliani A, Vasekova E, Lourenço J M C, Santos P M, Hoffmann S V, Mason N J, Delwiche J, Hubin-Franskin M-J
Laboratório de Colisões Atómicas e Moleculares, Departamento de Física, CEFITEC, Universidade Nova de Lisboa, P-2829-516 Caparica, Portugal.
J Phys Chem A. 2008 Apr 3;112(13):2782-93. doi: 10.1021/jp7107939. Epub 2008 Mar 11.
The electronic transitions and resonance-enhanced vibrational excitations of octafluorocyclopentene (c-C5F8) have been investigated using high-resolution photoabsorption spectroscopy in the energy range 6-11 eV. In addition, the high-resolution electron energy loss spectrum (HREELS) was recorded under the electric dipolar excitation conditions (100 eV incident energy, approximately 0 degrees scattering angle) over the 5-14 eV energy loss range. A He(I) photoelectron spectrum (PES) has also been recorded between 11 and 20 eV, allowing us to derive a more precise value of (11.288 +/- 0.002) eV for the ground neutral state adiabatic ionization energy. All spectra presented in this paper represent the first and highest resolution data yet reported for octafluorocyclopentene. Ab initio calculations have been performed for helping in the assignment of the spectral bands for both neutral excited states and ionic states.
利用高分辨率光吸收光谱在6 - 11电子伏特能量范围内研究了八氟环戊烯(c-C5F8)的电子跃迁和共振增强振动激发。此外,在5 - 14电子伏特能量损失范围内,在电偶极激发条件下(100电子伏特入射能量,约0度散射角)记录了高分辨率电子能量损失谱(HREELS)。还在11至20电子伏特之间记录了He(I)光电子能谱(PES),使我们能够得出基态中性态绝热电离能的更精确值为(11.288 ± 0.002)电子伏特。本文给出的所有光谱代表了八氟环戊烯迄今报道的首个也是分辨率最高的数据。已经进行了从头算计算,以帮助确定中性激发态和离子态的光谱带归属。