Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective

2017 ◽  
Vol 38 (13) ◽  
pp. 957-970 ◽  
Author(s):  
Jesús Jara-Cortés ◽  
José Manuel Guevara-Vela ◽  
Ángel Martín Pendás ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Chemical Bonding ◽  
Real Space ◽  
Charge Redistribution

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

2019 ◽  
Author(s):  
José Luis Casals-Sainz ◽  
Jesús Jara-Cortés ◽  
Jesús Hernández-Trujillo ◽  
José Manuel Guevara-Vela ◽  
Evelio Francisco ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Excited States ◽  
Chemical Bonding ◽  
Real Space ◽  
Distribution Functions ◽  
Electron Localization ◽  
Electron Number ◽  
Number Distribution

<p>In this contribution, we continue with our enterprise regarding the systematization of chemical bonding in excited states. We show how real space electron localization and delocalization measures, coupled to the statistical analysis of electron number distribution functions, may be used to discover <i>uncharted territories in chemical bonding </i>that are not easily accessible by other theoretical or computational means. The possibility of exotic bonding landscapes in excited states was already predicted years ago (<i>PCCP</i> 9, 1087, 2007). Here we demonstrate how easily these situations can be met.</p>

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

2019 ◽  
Author(s):  
José Luis Casals-Sainz ◽  
Jesús Jara-Cortés ◽  
Jesús Hernández-Trujillo ◽  
José Manuel Guevara-Vela ◽  
Evelio Francisco ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Excited States ◽  
Chemical Bonding ◽  
Real Space ◽  
Distribution Functions ◽  
Electron Localization ◽  
Electron Number ◽  
Number Distribution

<p>In this contribution, we continue with our enterprise regarding the systematization of chemical bonding in excited states. We show how real space electron localization and delocalization measures, coupled to the statistical analysis of electron number distribution functions, may be used to discover <i>uncharted territories in chemical bonding </i>that are not easily accessible by other theoretical or computational means. The possibility of exotic bonding landscapes in excited states was already predicted years ago (<i>PCCP</i> 9, 1087, 2007). Here we demonstrate how easily these situations can be met.</p>

CO Adsorption on GaPd-Unravelling the Chemical Bonding in Real Space

ChemPhysChem ◽  
2017 ◽  
Vol 18 (4) ◽  
pp. 334-337 ◽  
Author(s):  
Sebastián Alarcón Villaseca ◽  
Alim Ormeci ◽  
Sergey V. Levchenko ◽  
Robert Schlögl ◽  
Yuri Grin ◽  
...  
Keyword(s):  
Chemical Bonding ◽  
Co Adsorption ◽  
Real Space

Theoretical Studies of Collision-induced Energy Transfer in Electronically Excited States

1990 ◽  
Vol 94 (11) ◽  
pp. 1253-1262 ◽  
Author(s):  
M. H. Alexander ◽  
A. Berning ◽  
A. Degli Esposti ◽  
A. Joerg ◽  
A. Kliesch ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Theoretical Studies ◽  
Electronically Excited States ◽  
Electronically Excited

scholarly journals Ultrabroadband two-dimensional electronic spectroscopy reveals energy flow pathways in LHCII across the visible spectrum

2019 ◽  
Vol 205 ◽  
pp. 09034
Author(s):  
Minjung Son ◽  
Alberta Pinnola ◽  
Roberto Bassi ◽  
Gabriela S. Schlau-Cohen
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Energy Flow ◽  
Energy Levels ◽  
Electronic Spectroscopy ◽  
Visible Region ◽  
Visible Spectrum ◽  
Energy Relaxation ◽  
Two Dimensional ◽  
Flow Pathways

We utilise ultrabroadband two-dimensional electronic spectroscopy to map out pathways of energy flow in LHCII across the entire visible region. In addition to the well-established, low-lying chlorophyll Qy bands, our results reveal additional pathways of energy relaxation on the higher-lying excited states involving the S2 energy levels of carotenoids, including ultrafast carotenoid-to-chlorophyll energy transfer on 90-150 fs timescales.

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