Theoretical Study of Dynamic Stark-Induced π-Electron Rotations in Low-Symmetry Aromatic Ring Molecules beyond the Frozen Nuclear Approximation

2021 ◽  
Vol 125 (7) ◽  
pp. 1476-1489
Author(s):  
Hirobumi Mineo ◽  
Ngoc-Loan Phan ◽  
Dung-Kiet La ◽  
Yuichi Fujimura
Keyword(s):  
Aromatic Ring ◽  
Theoretical Study ◽  
Ring Molecules ◽  
Low Symmetry

The generation of stationary π-electron rotations in chiral aromatic ring molecules possessing non-degenerate excited states

2016 ◽  
Vol 18 (3) ◽  
pp. 1570-1577 ◽  
Author(s):  
Masahiro Yamaki ◽  
Yoshiaki Teranishi ◽  
Hiroki Nakamura ◽  
Sheng Hsien Lin ◽  
Yuichi Fujimura
Keyword(s):  
Angular Momentum ◽  
Aromatic Ring ◽  
Excited States ◽  
High Symmetry ◽  
Laser Fields ◽  
Ring Molecules ◽  
Fundamental Quantity ◽  
Low Symmetry

Stationary angular momentum, which is a fundamental quantity of high-symmetry aromatic ring molecules, can be created for low-symmetry ring molecules by applying theoretically designed stationary laser fields.

Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasers

2016 ◽  
Vol 18 (38) ◽  
pp. 26786-26795 ◽  
Author(s):  
Hirobumi Mineo ◽  
Masahiro Yamaki ◽  
Gap-Sue Kim ◽  
Yoshiaki Teranishi ◽  
Sheng Hsien Lin ◽  
...  
Keyword(s):  
Aromatic Ring ◽  
Excited States ◽  
Ring Molecules ◽  
Linearly Polarized ◽  
Laser Control ◽  
Low Symmetry

A new laser-control scenario of unidirectional π-electron rotations in an aromatic ring molecule having no degenerate excited states is proposed.

scholarly journals Vibrational effect on unidirectional time-dependent angular momentum in low-symmetry aromatic ring molecule induced by two linearly polarized UV laser

2019 ◽  
Vol 16 (6) ◽  
pp. 62
Author(s):  
La Dung Kiet ◽  
Hirobumi Mineo
Keyword(s):  
Angular Momentum ◽  
Aromatic Ring ◽  
Theoretical Study ◽  
Momentum Equation ◽  
Time Dependent ◽  
Uv Laser ◽  
Toluene Molecule ◽  
Linearly Polarized ◽  
Low Symmetry

In this study, we present the results of a theoretical study of the time-dependent angular momentum equation for low-symmetry aromatic ring molecule combine with vibrational effect using two linearly polarized UV laser. We consider the vibrational effect on Toluene molecule and show how the vibrational effect to change of the oscillation periods of unidirectional angular momentum.

scholarly journals DOUBLE-VALUEDNESS OF THE ELECTRON WAVEFUNCTION AND ROTATIONAL ZERO-POINT MOTION OF ELECTRONS IN RINGS

2010 ◽  
Vol 24 (21) ◽  
pp. 2201-2214 ◽  
Author(s):  
J. E. HIRSCH
Keyword(s):  
Angular Momentum ◽  
Aromatic Ring ◽  
Orbital Angular Momentum ◽  
Ground State ◽  
Spin Current ◽  
Zero Point ◽  
Persistent Currents ◽  
Ring Molecules ◽  
Point Motion ◽  
Electron Wavefunction

I propose that the phase of an electron's wavefunction changes by π when the electron goes around a loop maintaining phase coherence. Equivalently, that the minimum orbital angular momentum of an electron in a ring is ℏ/2 rather than zero as generally assumed, hence, that the electron in a ring has azimuthal zero point motion. This proposal implies that a spin current exists in the ground state of aromatic ring molecules and suggests an explanation for the ubiquitousness of persistent currents observed in mesoscopic rings.

scholarly journals Influence of the Nucleophilic Ligand on the Reactivity of Carbonyl Rhenium(I) Complexes towards Methyl Propiolate: A Computational Chemistry Perspective

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4134
Author(s):  
Daniel Álvarez ◽  
Elena López-Castro ◽  
Arturo Guerrero ◽  
Lucía Riera ◽  
Julio Pérez ◽  
...  
Keyword(s):  
Computational Chemistry ◽  
Aromatic Ring ◽  
Theoretical Study ◽  
Methyl Substituent ◽  
Carbonyl Ligand ◽  
Amido Ligands ◽  
Bipy Ligand ◽  
Coupling Product ◽  
Methyl Propiolate ◽  
The One

A comparative theoretical study on the reactivity of the complexes [ReY(CO)3(bipy)] (Y = NH2, NHMe, NHpTol, OH, OMe, OPh, PH2, PHMe, PMe2, PHPh, PPh2, PMePh, SH, SMe, SPh; bipy = 2,2′-bipyridine) towards methyl propiolate was carried out to analyze the influence of both the heteroatom (N, O, P, S) and the alkyl and/or aryl substituents of the Y ligand on the nature of the product obtained. The methyl substituent tends to accelerate the reactions. However, an aromatic ring bonded to N and O makes the reaction more difficult, whereas its linkage to P and S favour it. On the whole, ligands with O and S heteroatoms seem to disfavour these processes more than ligands with N and P heteroatoms, respectively. Phosphido and thiolato ligands tend to yield a coupling product with the bipy ligand, which is not the general case for hydroxo, alcoxo or amido ligands. When the Y ligand has an O/N and an H atom the most likely product is the one containing a coupling with the carbonyl ligand, which is not always obtained when Y contains P/S. Only for OMe and OPh, the product resulting from formal insertion into the Re-Y bond is the preferred.

The electronic effect of positively charged substituents on an aromatic ring: a 13cmr and theoretical study

Tetrahedron ◽  
1978 ◽  
Vol 34 (2) ◽  
pp. 193-196 ◽  
Author(s):  
Alfredo Ricci ◽  
Fernando Bernardi ◽  
Roberto Danieli ◽  
Dante Macciantelli ◽  
John H. Ridd
Keyword(s):  
Aromatic Ring ◽  
Electronic Effect ◽  
Theoretical Study ◽  
Positively Charged
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