Electronic structures and geometries of six-co-ordinate bis(tropolonate)tin hydrocarbyl and chloride complexes. A combined theoretical ab initio and gas-phase photoelectron spectroscopy study†

1997 ◽  
pp. 965-972 ◽  
Author(s):  
(the late) Giovanni Bruno ◽  
Giuseppe Lanza ◽  
Graziella Malandrino ◽  
Ignazio Fragalà
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Spectroscopy Study ◽  
Chloride Complexes

Nitrosyl Isocyanate (ONNCO):  Gas-Phase Generation and a HeI Photoelectron Spectroscopy Study

2005 ◽  
Vol 44 (25) ◽  
pp. 9283-9287 ◽  
Author(s):  
Xiaoqing Zeng ◽  
Maofa Ge ◽  
Zheng Sun ◽  
Dianxun Wang
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Spectroscopy Study

Gas-Phase Tautomerism in the Triazoles and Tetrazoles: A Study by Photoelectron Spectroscopy and ab Initio Molecular Orbital Calculations

1981 ◽  
Vol 36 (11) ◽  
pp. 1246-1252 ◽  
Author(s):  
Michael H. Palmer ◽  
Isobel Simpson ◽  
J. Ross Wheeler
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Molecular Orbital ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Photoelectron Spectra ◽  
Equilibrium Geometry ◽  
Molecular Orbital Calculations ◽  
Methyl Derivatives

The photoelectron spectra of the tautomeric 1,2,3,- and 1,2,4-triazole and 1,2,3,4-tetrazole systems have been compared with the corresponding N-methyl derivatives. The dominant tautomers in the gas phase have been identified as 2 H-1,2,3-triazole, 1 H-1,2,4-triazole and 2H-tetrazole.Full optimisation of the equilibrium geometry by ab initio molecular orbital methods leads to the same conclusions, for relative stability of the tautomers in each of the triazoles, but the calculations wrongly predict the tetrazole tautomerism.

Internal conversion and intersystem crossing dynamics of uracil upon double thionation: a time-resolved photoelectron spectroscopy study in the gas phase

2020 ◽  
Vol 22 (27) ◽  
pp. 15608-15615
Author(s):  
Abed Mohamadzade ◽  
Susanne Ullrich
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Internal Conversion ◽  
Intersystem Crossing ◽  
Spectroscopy Study ◽  
Time Resolved

Gas-phase photophysics of 2,4-dithiouracil studied by time-resolved photoelectron spectroscopy.

Photoelectron spectroscopy study of the electronic structures at CoPc/Bi(111) interface

2017 ◽  
Vol 661 ◽  
pp. 34-41 ◽  
Author(s):  
Haoliang Sun ◽  
Zhaofeng Liang ◽  
Kongchao Shen ◽  
Jinbang Hu ◽  
Gengwu Ji ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Spectroscopy Study

Halide–Nitrogen Gas-Phase Clusters: Anion Photoelectron Spectroscopy and High Level ab Initio Calculations

2015 ◽  
Vol 119 (37) ◽  
pp. 9722-9728 ◽  
Author(s):  
Kim M. L. Lapere ◽  
Marcus Kettner ◽  
Peter D. Watson ◽  
Allan J. McKinley ◽  
Duncan A. Wild
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Nitrogen Gas ◽  
Gas Phase Clusters ◽  
Anion Photoelectron Spectroscopy ◽  
High Level
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