Electronic structure and dynamics of torsion-locked photoactive yellow protein chromophores

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.

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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 ◽

Photoelectron Spectroscopy ◽

Critical Role ◽

Electronic Stabilization ◽

Anion Photoelectron Spectroscopy

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Electronic structure of indium phosphide clusters: anion photoelectron spectroscopy of InxPx− and Inx+1Px− (x=1–13) clusters

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00671-5 ◽

1999 ◽

Vol 308 (5-6) ◽

pp. 347-354 ◽

Cited By ~ 40

Author(s):

Knut R Asmis ◽

Travis R Taylor ◽

Daniel M Neumark

Keyword(s):

Electronic Structure ◽

Indium Phosphide ◽

Photoelectron Spectroscopy ◽

Anion Photoelectron Spectroscopy

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Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

The Journal of Chemical Physics ◽

10.1063/1.4936252 ◽

2015 ◽

Vol 143 (22) ◽

pp. 224301 ◽

Cited By ~ 10

Author(s):

Kiran Bhaskaran-Nair ◽

Marat Valiev ◽

S. H. M. Deng ◽

William A. Shelton ◽

Karol Kowalski ◽

...

Keyword(s):

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Theoretical Investigations ◽

Gfp Chromophore ◽

Anion Photoelectron Spectroscopy

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The influence of aqueous solvent on the electronic structure and non-adiabatic dynamics of indole explored by liquid-jet photoelectron spectroscopy

Faraday Discussions ◽

10.1039/c8fd00123e ◽

2018 ◽

Vol 212 ◽

pp. 359-381 ◽

Cited By ~ 5

Author(s):

Gaurav Kumar ◽

Anirban Roy ◽

Ryan S. McMullen ◽

Shanmukh Kutagulla ◽

Stephen E. Bradforth

Keyword(s):

Electronic Structure ◽

Amino Acid ◽

Photoelectron Spectroscopy ◽

Liquid Jet ◽

Time Resolved ◽

Structure And Dynamics ◽

Aqueous Solvent ◽

Influence Of Water ◽

Amino Acid Tryptophan ◽

Adiabatic Dynamics

Time-resolved photoelectron spectroscopy (TRPES) in a liquid micro-jet is implemented here to investigate the influence of water on the electronic structure and dynamics of indole, the chromophore of the amino acid tryptophan.

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The electronic structure of MoC and WC by anion photoelectron spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.479523 ◽

1999 ◽

Vol 111 (6) ◽

pp. 2464-2469 ◽

Cited By ~ 27

Author(s):

Xi Li ◽

Sherry S. Liu ◽

Wenwu Chen ◽

Lai-Sheng Wang

Keyword(s):

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Anion Photoelectron Spectroscopy

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Electronic Structure and Dynamics of Defect in a-Si:H by Ab-Initio Molecular Dynamics

MRS Proceedings ◽

10.1557/proc-297-171 ◽

1993 ◽

Vol 297 ◽

Cited By ~ 1

Author(s):

N. Orita ◽

T. Sasaki ◽

H. Katayama–Yoshida

Keyword(s):

Molecular Dynamics ◽

Electronic Structure ◽

Ab Initio ◽

Hydrogenated Amorphous Silicon ◽

Ab Initio Molecular Dynamics ◽

Dangling Bond ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Hydrogenated Amorphous

Electronic structure and dynamics of defects in hydrogenated amorphous silicon (a-Si:H) are investigated based upon ab–initio molecular–dynamics simulations. It is shown that (i) the hydrogen–passivated dangling bond (Si-H), (ii) the positively-ionized three–centered bond (Si– H+–Si), (iii) the negatively–ionized three–coordinated dangling bond (D−) and (iv) the five- coordinated floating bond (F5) are the intrinsic defects in a–Si:H. Based upon the calculated result, we discuss the role of hydrogen and the origin of the photo–induced defect in a-Si:H.

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