Resultant Information Description of Electronic States and Chemical Processes

2019 ◽  
Vol 123 (45) ◽  
pp. 9737-9752 ◽  
Author(s):  
Roman F. Nalewajski
Keyword(s):  
Electronic States ◽  
Chemical Processes ◽  
Information Description

Radiation-chemical processes as disclosure of electronic states in a bis(dinitrogen) molybdenum complex

Polyhedron ◽  
1986 ◽  
Vol 5 (3) ◽  
pp. 833-838 ◽  
Author(s):  
J.O. Dziȩgielewski ◽  
B. Jeżowska-Trzebiatowska ◽  
R. Gil-Bortnowska ◽  
R. Grzybek
Keyword(s):  
Electronic States ◽  
Chemical Processes ◽  
Molybdenum Complex ◽  
Radiation Chemical

Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

2021 ◽  
Author(s):  
Jon G. C. Kragskow ◽  
Jonathan Marbey ◽  
Christian Dirk Buch ◽  
Joscha Nehrkorn ◽  
Mykhaylo Ozerov ◽  
...  
Keyword(s):  
Magnetic Relaxation ◽  
Electronic States ◽  
Far Infrared ◽  
Vibronic Coupling ◽  
Chemical Processes ◽  
Molecular Magnets ◽  
Molecular Magnet ◽  
Magnetic Memory ◽  
Vibrational Modes ◽  
Phonon Coupling

<p><b>Vibronic coupling, the interaction between molecular vibrations and electronic states, is a pervasive effect that profoundly affects chemical processes. In the case of molecular magnetic materials, vibronic, or spin-phonon, coupling leads to magnetic relaxation, which equates to loss of magnetic memory and loss of phase coherence in molecular magnets and qubits, respectively. The study of vibronic coupling is challenging, and most experimental evidence is indirect. Here we employ far-infrared magnetospectroscopy to probe vibronic transitions in in [Yb(trensal)] (where H<sub>3</sub>trensal = 2,2,2-tris(salicylideneimino)trimethylamine). We find intense signals near electronic states, which we show arise due to an “envelope effect” in the vibronic coupling Hamiltonian, and we calculate the vibronic coupling fully <i>ab initio</i> to simulate the spectra. We subsequently show that vibronic coupling is strongest for vibrational modes that simultaneously distort the first coordination sphere and break the C<sub>3</sub> symmetry of the molecule. With this knowledge, vibrational modes could be identified and engineered to shift their energy towards or away from particular electronic states to alter their impact. Hence, these findings provide new insights towards developing general guidelines for the control of vibronic coupling in molecules.</b></p>

scholarly journals Vibronic Coupling in a Molecular 4f Qubit

2021 ◽  
Author(s):  
Jonathan Marbey ◽  
Jon G. C. Kragskow ◽  
Christian Dirk Buch ◽  
Joscha Nehrkorn ◽  
Mykhaylo Ozerov ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Magnetic Relaxation ◽  
Electronic States ◽  
Far Infrared ◽  
Vibronic Coupling ◽  
Chemical Processes ◽  
Molecular Magnets ◽  
Magnetic Memory ◽  
Vibrational Modes ◽  
Phonon Coupling

<p><b>Vibronic coupling, the interaction between molecular vibrations and electronic states, is a pervasive effect that profoundly affects chemical processes. In the case of molecular magnetic materials, vibronic, or spin-phonon, coupling leads to magnetic relaxation, which equates to loss of magnetic memory and loss of phase coherence in molecular magnets and qubits, respectively. The study of vibronic coupling is challenging, and most experimental evidence is indirect. Here we employ far-infrared magnetospectroscopy to probe vibronic transitions in a Yb<sup>III</sup> molecular qubit directly. We find intense signals near electronic states, which we show arise due to an “envelope effect” in the vibronic coupling Hamiltonian, and we calculate the vibronic coupling fully <i>ab initio</i> to simulate the spectra. We subsequently show that vibronic coupling is strongest for vibrational modes that simultaneously distort the first coordination sphere and break the C<sub>3</sub> symmetry of the molecule. With this knowledge, vibrational modes could be identified and engineered to shift their energy towards or away from particular electronic states to alter their impact. Hence, these findings provide new insights towards developing general guidelines for the control of vibronic coupling in molecules.</b></p>

scholarly journals Vibronic Coupling in a Molecular 4f Qubit

2021 ◽  
Author(s):  
Jonathan Marbey ◽  
Jon G. C. Kragskow ◽  
Christian Dirk Buch ◽  
Joscha Nehrkorn ◽  
Mykhaylo Ozerov ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Magnetic Relaxation ◽  
Electronic States ◽  
Far Infrared ◽  
Vibronic Coupling ◽  
Chemical Processes ◽  
Molecular Magnets ◽  
Magnetic Memory ◽  
Vibrational Modes ◽  
Phonon Coupling

<p><b>Vibronic coupling, the interaction between molecular vibrations and electronic states, is a pervasive effect that profoundly affects chemical processes. In the case of molecular magnetic materials, vibronic, or spin-phonon, coupling leads to magnetic relaxation, which equates to loss of magnetic memory and loss of phase coherence in molecular magnets and qubits, respectively. The study of vibronic coupling is challenging, and most experimental evidence is indirect. Here we employ far-infrared magnetospectroscopy to probe vibronic transitions in a Yb<sup>III</sup> molecular qubit directly. We find intense signals near electronic states, which we show arise due to an “envelope effect” in the vibronic coupling Hamiltonian, and we calculate the vibronic coupling fully <i>ab initio</i> to simulate the spectra. We subsequently show that vibronic coupling is strongest for vibrational modes that simultaneously distort the first coordination sphere and break the C<sub>3</sub> symmetry of the molecule. With this knowledge, vibrational modes could be identified and engineered to shift their energy towards or away from particular electronic states to alter their impact. Hence, these findings provide new insights towards developing general guidelines for the control of vibronic coupling in molecules.</b></p>

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

Electronic States near the Fermi Level in the Antiferromagnetic and Ferromagnetic Spinels of Zn 1− x Cu x Cr 2 Se 4 ; 0.0 ≤ x ≤ 1.0

2002 ◽  
Vol 75 (4-5) ◽  
pp. 359-371
Author(s):  
M. Hidaka ◽  
N. Tokiwa ◽  
M. Yoshimura ◽  
H. Fujii ◽  
Jae-Young Choi ◽  
...  
Keyword(s):  
Fermi Level ◽  
Electronic States
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