Investigation of the complex vibronic structure in the first excited and ionic ground state of 3-chloropyridine by means of REMPI and MATI spectroscopy and Franck-Condon analysis

2021 ◽  
Author(s):  
Niklas Helle ◽  
Tim Raeker ◽  
Jürgen Grotemeyer
Keyword(s):  
Ground State ◽  
Vibronic Structure ◽  
Threshold Ionization ◽  
Chlorine Substitution ◽  
Photon Ionization ◽  
Mati Spectroscopy ◽  
Franck Condon

3-Chloropyridine (3-CP) has been investigated by means of resonance-enhanced multi photon ionization (REMPI) and mass-analyzed threshold ionization (MATI) spectroscopy to elucidate the effect of m-chlorine substitution on the vibronic structure...

Analysis of the 1A′ S1 ← 1A′ S0 and 2A′ D0 ← 1A′ S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy

2016 ◽  
Vol 18 (10) ◽  
pp. 7100-7113 ◽  
Author(s):  
Sascha Krüger ◽  
Jürgen Grotemeyer
Keyword(s):  
Ground State ◽  
Vibrational Structure ◽  
Threshold Ionization ◽  
Photon Ionization ◽  
Mati Spectroscopy

REMPI and MATI spectroscopy have been applied in order to investigate the vibrational structure of 1,2-dichloro-4-fluorobenzene (1,2,4-DCFB), in its first excited (S1) and cationic ground state (D0).

scholarly journals Detailed analysis of the vibronic structure of phenetole in its first excited state and ionic ground state

2019 ◽  
Vol 25 (1) ◽  
pp. 142-156 ◽  
Author(s):  
Niklas Helle ◽  
Immo Hintelmann ◽  
Jürgen Grotemeyer
Keyword(s):  
Excited State ◽  
Ground State ◽  
Bending Vibration ◽  
Vibronic Structure ◽  
Td Dft ◽  
First Excited State ◽  
Electronically Excited ◽  
Mati Spectroscopy ◽  
Adiabatic Ionization Energy ◽  
Franck Condon

The vibronic structure of the first electronically excited state S1 and ionic ground state D0 of phenetole has been investigated by means of resonance enhanced multi photon ionization (REMPI) and mass analyzed threshold ionization (MATI) spectroscopy. The vibronic levels were assigned with the aid of quantum chemical calculations at the (TD)DFT level of theory and a multidimensional Franck-Condon approach. The S1 excitation energy of phenetole has been determined to be 36370 ± 4 cm−1 (4.5093 ± 0.0005 eV). The adiabatic ionization energy was determined to be 65665 ± 7 cm−1 (8.1415 ± 0.0008 eV). The vibronic structure has been analyzed whereby the in-plane bending vibration νbend shows high activity in the first excited state but is more pronounced in the ionic ground state. Moreover, a strong Duschinsky rotation effect can be observed for several D0←S1 transitions that causes violations of the Δv = 0 propensity rule.

Studies of the First Electronically Excited State of 3-Fluoropyridine and its Ionic Structure by Means of REMPI, Two-Photon MATI, One-Photon VUV-MATI Spectroscopy and Franck-Condon Analysis

2021 ◽  
Author(s):  
Niklas Helle ◽  
Tim Raeker ◽  
Jürgen Grotemeyer
Keyword(s):  
Vacuum Ultraviolet ◽  
Ionic Structure ◽  
Two Photon ◽  
Electronically Excited State ◽  
Electronically Excited ◽  
Photon Ionization ◽  
Mati Spectroscopy ◽  
Franck Condon ◽  
Photon Resonance

3-Fluoropyridine (3-FP) has been investigated by means of two-photon resonance-enhanced multi photon ionization (REMPI), mass-analyzed threshold ionization (MATI) and one-photon vacuum-ultraviolet (VUV) MATI spectroscopy. The aim was the determination of...

Determination of the Binding Energies in Aromatic Clusters: Resonance-Enhanced Multi-Photon Ionization and Mass Analyzed Threshold Ionization Investigation of the Dichlorobenzene–Argon Complexes

2009 ◽  
Vol 15 (2) ◽  
pp. 349-359 ◽  
Author(s):  
Angela Gaber ◽  
Mikko Riese ◽  
Frank Witte ◽  
Jürgen Grotemeyer
Keyword(s):  
Ground State ◽  
Theoretical Calculations ◽  
Argon Atom ◽  
Binding Energies ◽  
Van Der Waals Complexes ◽  
Threshold Ionization ◽  
Aromatic Clusters ◽  
Photon Ionization ◽  
Neutral Ground

Resonance-enhanced multi-photon ionization (REMPI) and mass-analyzed threshold ionization (MATI) spectroscopic investigations were applied to the van der Waals complexes of the three dichlorobenzene isomers with argon. From the REMPI spectra it is concluded that the argon atom is shifted towards the chlorine atoms during excitation for the ortho and the meta isomers while it stays in the middle of the ring for the para isomer. From the MATI spectra it was possible to determine the binding energies in the ion ground state to 617 cm−1 ± 15 cm−1, 529 cm−1 ± 125 cm−1 and 581 cm−1 ± 76 cm−1 for the para, the meta and the ortho isomer, respectively. Together with theoretical calculations binding energies in the neutral ground state were determined to be 426 cm−1 ± 16 cm−1 for all the three isomers.

Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 3,5-difluorophenol

2018 ◽  
Vol 700 ◽  
pp. 145-148 ◽  
Author(s):  
Wei Chih Peng ◽  
Pei Ying Wu ◽  
Shen Yuan Tzeng ◽  
Wen Bih Tzeng
Keyword(s):  
Threshold Ionization ◽  
Two Photon ◽  
Photon Ionization

Die Schwingungsfeinstruktur der Elektronenspektren des 13C- und 18O-markierten trans-Dioxotetracyanoosmats (VI),[OsO2(CN)4]2 -

1988 ◽  
Vol 43 (3) ◽  
pp. 239-247 ◽  
Author(s):  
C. Sartori ◽  
W. Preetz
Keyword(s):  
Ground State ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Isotopic Shifts ◽  
Charge Transfer Transitions ◽  
Stretching Vibration ◽  
Stretching Vibrations ◽  
The One ◽  
Franck Condon ◽  
Electronic Ground

The electronic absorption spectrum of the solid tetramethyl-ammonium salt of [OsO2(CN)4]2 - is measured at 10 K. The five distinct band systems exhibit vibrational progressions in the range 660-750 cm - 1, corresponding to the Os = O stretching vibrations sometimes coupled with ν(OsC). From this vibrational fine structure the electronic origin is deduced and verified by characteristic isotopic shifts by 18O and 13C. The two bands at lowest energy are assigned to the d-d-transitions 1A1g [b22g] → 3Eg [b12g e1g] (620 - 460 nm) and 1A1g [b22g] → 1Eg [b12g e1g] (490 - 400 nm). The 3Eg state is split by spin-orbit coupling into 5 components, from the one at lowest energy a luminescence emission (830 - 670 nm) takes place with a progression of 860 cm-1, corresponding to the symmetric Os = O stretching vibration in the electronic ground state. The more intense bands are assigned to charge transfer transitions from oxo π-orbitals into unoccupied niveaus of Os (VI): 1A1g [e4u] → 3A2u [e3u e1g] (390 - 340); → 1A1u [e3u e1g] (340 - 290) and → 1Eu [e3u b11g (290 - 230 nm). The singlet-triplet distances are 3200-3600 cm - 1. From a Franck-Condon analysis an excited state elongation of 10-13 pm for the osmyl groups is calculated.

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