Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule

被引：9

作者：

Ilakovac, Vita ^{[1
,2
]}

Houari, Ymene ^{[1
]}

Carniato, Stephane ^{[1
]}

Gallet, Jean-Jacques ^{[1
]}

Kukk, Edwin ^{[3
]}

Horvatic, Davor ^{[4
]}

机构：

[1] Univ Paris 06, CNRS UMR 7614, Lab Chim Phys Matiere & Rayonnement, F-75231 Paris, France

[2] Univ Cergy Pontoise, F-95031 Cergy Pontoise, France

[3] Univ Turku, Dept Phys, FI-20014 Turku, Finland

[4] Univ Zagreb, Dept Phys, Zagreb 10001, Croatia

来源：

PHYSICAL REVIEW A | 2012年 / 85卷 / 06期

关键词：

PHOTOELECTRON-SPECTROSCOPY; HYDROCARBONS; IONIZATION; EXCITATION; ADSORPTION; ENERGIES; BINDING;

D O I：

10.1103/PhysRevA.85.062521

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Besides two strong pi(*)(perpendicular to 1) and pi(parallel to)* resonances in the 398- to 400-eV energy range, N 1s near edge x-ray absorption fine structure spectra of acrylonitrile molecules have a less intense 401- to 403-eV doublet. The two components correspond to the N 1s -> pi(*)(perpendicular to 2) and N 1s -> D parallel to* transitions, where D parallel to* is a diffuse state with strong Rydberg character. The vibrational analysis shows that in the D parallel to* excited state, two low- energy out-of -plane normal modes are strongly excited. The p(perpendicular to 2)* excitation triggers a set of in-plane vibrations, in particular, two C=C-C N bendings of the molecule.

引用

页数：6

共 50 条

[31] The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase
Vall-llosera, G.
Gao, B.
Kivimaeki, A.
Coreno, M.
Ruiz, J. Alvarez
de Simone, M.
Agren, H.
Rachlew, E.
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (04):
[32] Vibrationally Resolved Absorption and Emission Spectra of Rubrene Multichromophores: Temperature and Aggregation Effects
Gao, Fang
Liang, Wan Zhen
Zhao, Yang
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (46): : 12847 - 12856
[33] Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives
Song, Ce
Li, Li
Duan, Sai
Luo, Yi
Tian, Guangjun
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 183 : 339 - 347
[34] Angle-resolved resonant Auger electron spectroscopy of CO after vibrationally resolved C 1s → nlλ excitations
Hemmers, O
Heiser, F
Viefhaus, J
Wieliczek, K
Becker, U
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1999, 32 (15) : 3769 - 3782
[35] Conformational flexibility and its effect on the vibrationally resolved absorption and fluorescence spectra of oligofluorenes
Song, Jian
Liang, Wan Zhen
Zhao, Yi
Yang, Jinlong
APPLIED PHYSICS LETTERS, 2006, 89 (07)
[36] The correct assignment of vibrationally-resolved absorption spectra of protonated anthracene isomers
Li, Junfeng
Luo, Yi
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2021, 244
[37] Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedione Aggregates
Feng, Shishi
Zhao, Yi
Liang, WanZhen
JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 126 (37): : 6395 - 6406
[38] Is there interference in the resonant Auger electron spectra of N 1s and O 1s → 2π core excited NO?
Wang, H
Fink, RF
Piancastelli, MN
Bässler, M
Hjelte, I
Björneholm, O
Burmeister, F
Feifel, R
Giertz, A
Miron, C
Sorensen, SL
Wiesner, K
Svensson, S
CHEMICAL PHYSICS, 2003, 289 (01) : 31 - 44
[39] A Computational Approach to Nontraditional Intrinsic Luminescence: Vibrationally Resolved Absorption and Fluorescence Spectra of DABCO
Rozic, Tomislav
Hochlaf, Majdi
Ben Said, Ridha
Doslic, Nada
JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 126 (07): : 1094 - 1102
[40] Interference modulation in the vibrationally resolved photoionization of the 1σg and 1σu core levels of the N2 molecule
Semenov, S. K.
Cherepkov, N. A.
Matsumoto, M.
Hatamoto, T.
Liu, X-J
Prumper, G.
Tanaka, T.
Hoashino, M.
Tanaka, H.
Gel'mukhanov, F.
Ueda, K.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2006, 39 (12) : L261 - L267

← 1 2 3 4 5 →