scholarly journals Signature of the neighbor's quantum nuclear dynamics in the electron transfer mediated decay spectra

2021 ◽  
Author(s):  
Aryya Ghosh ◽  
Lorenz S Cederbaum ◽  
Kirill Gokhberg
Keyword(s):  
Electron Transfer ◽  
Weakly Bound ◽  
Nuclear Dynamics

We computed fully quantum nuclear dynamics, which accompanies electron transfer mediated decay (ETMD) in weakly bound polyatomic clusters. We considered two HeLi2 clusters -- with Li2 being either in the...

scholarly journals Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

2021 ◽  
Vol 143 (8) ◽  
pp. 3104-3112
Author(s):  
Yusuke Yoneda ◽  
S. Jimena Mora ◽  
James Shee ◽  
Brian L. Wadsworth ◽  
Eric A. Arsenault ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Nuclear Dynamics ◽  
Proton Coupled Electron Transfer

Coherent nuclear dynamics in ultrafast electron transfer in a porphyrin-ferrocene dyad

2006 ◽  
Vol 429 (1-3) ◽  
pp. 91-96 ◽  
Author(s):  
Minoru Kubo ◽  
Yukie Mori ◽  
Masana Otani ◽  
Masataka Murakami ◽  
Yukihide Ishibashi ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Nuclear Dynamics ◽  
Ultrafast Electron Transfer

Solvent and nuclear dynamics in ultrafast intermolecular electron transfer in a diffusionless, weakly polar system

1993 ◽  
Vol 207 (4-6) ◽  
pp. 546-550 ◽  
Author(s):  
Arkadiy Yartsev ◽  
Yutaka Nagasawa ◽  
Abderrazzak Douhal ◽  
Keitaro Yoshihara
Keyword(s):  
Electron Transfer ◽  
Intermolecular Electron Transfer ◽  
Nuclear Dynamics ◽  
Polar System

scholarly journals Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane

2016 ◽  
Vol 194 ◽  
pp. 95-115 ◽  
Author(s):  
Morgane Vacher ◽  
Fabio E. A. Albertani ◽  
Andrew J. Jenkins ◽  
Iakov Polyak ◽  
Michael J. Bearpark ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Wave Packet ◽  
Half Life ◽  
Electronic States ◽  
Nuclear Motion ◽  
Hole Density ◽  
Electron Dynamics ◽  
Nuclear Dynamics ◽  
Bond Lengths ◽  
Methylene Groups

We have simulated the coupled electron and nuclear dynamics using the Ehrenfest method upon valence ionisation of modified bismethylene-adamantane (BMA) molecules where there is an electron transfer between the two π bonds. We have shown that the nuclear motion significantly affects the electron dynamics after a few fs when the electronic states involved are close in energy. We have also demonstrated how the non-stationary electronic wave packet determines the nuclear motion, more precisely the asymmetric stretching of the two π bonds, illustrating “charge-directed reactivity”. Taking into account the nuclear wave packet width results in the dephasing of electron dynamics with a half-life of 8 fs; this eventually leads to the equal delocalisation of the hole density over the two methylene groups and thus symmetric bond lengths.

scholarly journals Controlled formation of weakly bound atomic negative ions by electron transfer from state-selected Rydberg atoms

1997 ◽  
Vol 40 (2) ◽  
pp. 129-134 ◽  
Author(s):  
M Reicherts ◽  
T Roth ◽  
A Gopalan ◽  
M.-W Ruf ◽  
H Hotop ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Rydberg Atoms ◽  
Negative Ions ◽  
Weakly Bound ◽  
Atomic Negative Ions

Structure Evolution and Corresponding Electrical Properties in Weakly Bound Co-C60 Mixture

2003 ◽  
Vol 788 ◽  
Author(s):  
Seiji Sakai ◽  
Hiroshi Naramoto ◽  
Yonghua Xu ◽  
Tri Hardi Priyanto ◽  
Vasily Lavrentiev ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Electrical Properties ◽  
Electrical Conduction ◽  
Conduction Mechanism ◽  
Covalent Bonding ◽  
Structure Evolution ◽  
Hopping Conduction ◽  
Weakly Bound ◽  
Raman Analysis

ABSTRACTMixture films of Co and C60 with various compositions were fabricated by co-evaporation under UHV condition. As for the saturation composition with C60-based phase, Co5C60 is deduced from the systematic Raman analysis. It is reasonably interpreted that the C60-based phase can be realized by less than one electron transfer per a Co atom into C60 and the contribution of a covalent bonding which induces a differently coordinated structure of the C60 molecules from the fcc-C60. The electrical conduction features are dependent on the Co content. In the C60-based phase up to Co5C60, the conduction mechanism seems to be described by the band concept modified with the disorder, followed by the hopping conduction through the precipitated Co clusters or particles and then, by the metallic one with increasing Co content.

Electronic decay in weakly bound heteroclusters: Energy transfer versus electron transfer

2001 ◽  
Vol 115 (11) ◽  
pp. 5076-5088 ◽  
Author(s):  
Jürgen Zobeley ◽  
Robin Santra ◽  
Lorenz S. Cederbaum
Keyword(s):  
Electron Transfer ◽  
Energy Transfer ◽  
Weakly Bound
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