Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

Relative Stability ◽

Theoretical Study ◽

Structural Evolution ◽

Carbon Structure ◽

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

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

Zeitschrift für Naturforschung A ◽

10.1515/zna-1981-1121 ◽

1981 ◽

Vol 36 (11) ◽

pp. 1246-1252 ◽

Cited By ~ 45

Author(s):

Michael H. Palmer ◽

Isobel Simpson ◽

J. Ross Wheeler

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

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.

Electronic and Structural Evolution of Monoiron Sulfur Clusters, FeS-n and FeSn (n = 1—6) from Anion Photoelectron Spectroscopy.

ChemInform ◽

10.1002/chin.200326010 ◽

2003 ◽

Vol 34 (26) ◽

Cited By ~ 1

Author(s):

Hua-Jin Zhai ◽

Boggavarapu Kiran ◽

Lai-Sheng Wang

Keyword(s):

Structural Evolution ◽

Critical Role of CF3 Groups in the Electronic Stabilization of [PdAu24(C≡CC6H3(CF3)2)18]2– as Revealed by Gas-Phase Anion Photoelectron Spectroscopy

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c02906 ◽

2021 ◽

pp. 10417-10421

Author(s):

Shun Ito ◽

Kiichirou Koyasu ◽

Shinjiro Takano ◽

Tatsuya Tsukuda

Keyword(s):

Gas Phase ◽

Critical Role ◽

Electronic Stabilization ◽

Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase

Chemical Science ◽

10.1039/c7sc01997a ◽

2017 ◽

Vol 8 (9) ◽

pp. 6141-6148 ◽

Cited By ~ 8

Author(s):

Reece Beekmeyer ◽

Michael A. Parkes ◽

Luke Ridgwell ◽

Jamie W. Riley ◽

Jiawen Chen ◽

...

Keyword(s):

Electronic Structure ◽

Quantum Chemistry ◽

Gas Phase ◽

Structure And Dynamics ◽

Quantum Chemistry Calculations ◽

Anion Photoelectron Spectroscopy ◽

Rotary Motor

Anion photoelectron spectroscopy and quantum chemistry calculations are employed to probe the electronic structure and dynamics of a unidirectional molecular rotary motor anion in the gas-phase.

Communication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study

The Journal of Chemical Physics ◽

10.1063/1.4882655 ◽

2014 ◽

Vol 140 (22) ◽

pp. 221103 ◽

Cited By ~ 10

Author(s):

Angela Buonaugurio ◽

Jacob Graham ◽

Allyson Buytendyk ◽

Kit H. Bowen ◽

Matthew R. Ryder ◽

...

Keyword(s):

Oxalic Acid ◽

Theoretical Study ◽

Threshold photoelectron spectroscopy of 9-methyl adenine: theory and experiment

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03729c ◽

2021 ◽

Author(s):

Khouloud Laamiri ◽

Gustavo Adolfo Garcia ◽

Laurent Nahon ◽

Adel Ben Houria ◽

Raimund Feifel ◽

...

Keyword(s):

Gas Phase ◽

Theoretical Study ◽

Single Photon ◽

Free Rotation ◽

Single Photon Ionization ◽

Photon Ionization ◽

Theory And Experiment

We present a combined experimental and theoretical study of single-photon ionization of 9-methyl adenine (9MA) in the gas phase. In addition to tautomerism, several rotamers due to the free rotation...