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Electron vacancy-level dependent hybrid photoionization of the F–@C60+molecule: A novel effect

Journal Article · · Journal of Physics. B, Atomic, Molecular and Optical Physics
 [1];  [2];  [2];  [2];  [3];  [2]
  1. Northwest Missouri State Univ., Maryville, MO (United States); Georgia State University
  2. Northwest Missouri State Univ., Maryville, MO (United States)
  3. Georgia State Univ., Atlanta, GA (United States)
+ Show Author Affiliations
Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after an electron transfers from C60 to the halogen. It was further found as a rule that the ionization dynamics is insensitive to the C60level the electron originates from to produce X–@C60+ . In the current study, we report an exception to this rule in F@C60. It is found that when the electron vacancy is situated in the C60level that participates in the hybridization in F–@C60+, the mixing becomes dramatically large leading to strong modifications in the photoionization of the hybrid levels. This novel effect is fundamentally based on a level-crossing phenomenon driven by the electron transfer in F@C60. But when the vacancy is at any other pure level of C60, the level-invariance is retained showing weak hybridization. Even though this case of F@C60 is an exception in the halogen@C60 series, the phenomenon can be more general and can occur with compounds of other atoms caged in a variety of fullerenes. Possible experimental studies are suggested to benchmark the present results.
Research Organization:
Georgia State Univ., Atlanta, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-03ER15428
OSTI ID:
1845699
Alternate ID(s):
OSTI ID: 1845866
Journal Information:
Journal of Physics. B, Atomic, Molecular and Optical Physics, Journal Name: Journal of Physics. B, Atomic, Molecular and Optical Physics Journal Issue: 4 Vol. 55; ISSN 0953-4075
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

References (49)

Buckyball Difluoride F 2 − @C 60 + —A Single‐Molecule Crystal journal October 2018
Location of muonium and hydrogen in C60 fullerene and associated electronic structure and hyperfine properties journal December 1996
Single-photon ionization of C60- and C70-fullerene with synchrotron radiation: determination of the ionization potential of C60 journal January 1992
An endohedral fullerene-based nuclear spin quantum computer journal March 2011
Electronic structures of endohedral N@C60, O@C60 and F@C60 journal October 1999
Production and LDMS characterisation of endohedral alkalifullerene films journal November 1997
Studies on the Encapsulation of Various Anions in Different Fullerenes Using Density Functional Theory Calculations and Born–Oppenheimer Molecular Dynamics Simulation journal October 2011
Modulated Nonlinear Optical Responses and Charge Transfer Transition in Endohedral Fullerene Dimers Na@C 60 C 60 @F with n -Fold Covalent Bond ( n = 1, 2, 5, and 6) and Long Range Ion Bond journal June 2010
Endohedral fullerenes for organic photovoltaic devices journal February 2009
Cruising through molecular bound-state manifolds with radiofrequency journal January 2008
Li@C60 as a multi-state molecular switch journal May 2019
Superconductivity of doped Ar@C60 journal January 2006
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology journal January 2016
Photoionization cross section measurements of the excited states of cobalt in the near-threshold region journal October 2014
Electron paramagnetic resonance study of atomic phosphorus encapsulated in [60]fullerene journal December 1998
On the nature and origin of confinement resonances journal June 2000
Photoionization of C 60 : a model study journal May 2008
Confinement resonances in the photoionization of endohedral atoms: myth or reality? journal September 2010
Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C 60 vs Zn@C 60 journal August 2014
First prediction of inter-Coulombic decay of C 60 inner vacancies through the continuum of confined atoms journal May 2016
Photoemission from hybrid states of Cl@C 60 before and after a stabilizing charge transfer journal May 2020
Effects of Configuration Interaction on Intensities and Phase Shifts journal December 1961
Exchange-correlation potential with correct asymptotic behavior journal April 1994
Trends in near-threshold photoionization of off-the-center endohedral atoms journal October 2003
Entanglement, Berry phases, and level crossings for the atomic Breit-Rabi Hamiltonian journal December 2008
Photoionization of hybrid states in endohedral fullerenes journal June 2009
Reflective and collateral photoionization of an atom inside a fullerene: Confinement geometry from reciprocal spectra journal July 2009
Photoionization of Xe inside C 60 : Atom-fullerene hybridization, giant cross-section enhancement, and correlation confinement resonances journal January 2010
Interior static polarization effect in A @ C 60 photoionization journal August 2010
Lifetime measurement of the cesium 6 P 3 / 2 state using ultrafast laser-pulse excitation and ionization journal July 2011
Atom-fullerene-hybrid photoionization mediated by coupled d states in Zn@C 60 journal November 2012
Evidence of a Cooper minimum in the photoionization from the 7 s 2 S 1 / 2 excited state of potassium journal September 2013
Probing confinement resonances by photoionizing Xe inside a C 60 + molecular cage journal November 2013
Resonant Auger–intersite-Coulombic hybridized decay in the photoionization of endohedral fullerenes journal June 2014
Attosecond structures from the molecular cavity in fullerene photoemission time delay journal May 2015
Molecular level crossing and the geometric phase effect from the optical Hanle perspective journal April 2016
Effects of exchange-correlation potentials on the density-functional description of C 60 versus C 240 photoionization journal February 2017
Thermal line broadening in small metal clusters journal August 1989
Environmental effects on electron spin relaxation in N @ C 60 journal August 2007
Significant Redistribution of Ce 4 d Oscillator Strength Observed in Photoionization of Endohedral Ce @ C 82 + Ions journal September 2008
Confinement Resonances in Photoionization of Xe @ C 60 + journal November 2010
Effect of surface fluctuations in the line shape of plasma resonances in small metal clusters journal March 1989
Anomalous Behavior of the Near-Threshold Photoionization Cross Section of the Neon Isoelectronic Sequence: A Combined Experimental and Theoretical Study journal September 1999
Imaging Delocalized Electron Clouds: Photoionization of C 60 in Fourier Reciprocal Space journal August 2002
Photoexcitation of a Volume Plasmon in C 60 Ions journal February 2005
Room Temperature Electrical Detection of Spin Coherence in C 60 journal May 2007
Giant Enhancement in Low Energy Photoemission of Ar Confined in C 60 journal December 2007
A density functional theory based comparative study of hybrid photoemissions from Cl@C60, Br@C60 and I@C60 journal September 2020
Fullerene Negative Ions: Formation and Catalysis journal April 2020

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