scholarly journals Controlling rotation in the molecular frame with an optical centrifuge

2021 ◽  
Vol 3 (2) ◽  
Author(s):  
Emil J. Zak ◽  
Andrey Yachmenev ◽  
Jochen Küpper
Keyword(s):  
Molecular Frame

Ab initio Hartree-Fock Investigation of π-Conjugated Compounds Presenting Large βv/βe Ratio: Merocyanines

1998 ◽  
Vol 63 (9) ◽  
pp. 1295-1308 ◽  
Author(s):  
Benoît Champagne ◽  
Thierry Legrand ◽  
Eric A. Perpete ◽  
Olivier Quinet ◽  
Jean-Marie André
Keyword(s):  
Ab Initio ◽  
First Hyperpolarizability ◽  
Conjugated Molecules ◽  
Hartree Fock ◽  
Experimental Discovery ◽  
Conjugated Compounds ◽  
Molecular Frame

CHF/6-311G* calculations of the first electronic and vibrational hyperpolarizabilities reveal that merocyanines present a substantial βv/βe ratio under their quinonoid nonpolar form. It originates from a large vibrational first hyperpolarizability whereas its electronic counterpart is small for this class of push-pull π-conjugated molecules. The transition from the quinonoid to the aromatic configuration is accompanied by an increase of βe and a decrease of the βv/βe ratio as well as by a ≈ 180° rotation in the plane of the molecule of βe and βv with respect to the molecular frame. Our results support the recent experimental discovery that antiparallel aggregation of aromatic and quinonoid forms of merocyanine is energetically favoured and that their first hyperpolarizabilities, which combine constructively, present both electronic and non purely electronic origins.

Imaging of strong field dissociative single and double ionization channels of N2O

2017 ◽  
Vol 31 (29) ◽  
pp. 1750215 ◽  
Author(s):  
Feras Afaneh ◽  
Horst Schmidt-Böcking
Keyword(s):  
Angular Distribution ◽  
Laser Pulse ◽  
Momentum Distribution ◽  
Strong Field ◽  
Double Ionization ◽  
Photoelectron Angular Distribution ◽  
Ionization Processes ◽  
Elliptically Polarized ◽  
Molecular Frame ◽  
Ionization Rates

In this paper, we study single and double ionizations of N2O in a short elliptically polarized 800 nm laser pulse using the COLTRIMS technique. The molecular-frame photoelectron angular distribution and the ion sum-momentum distribution of single and double ionizations of N2O molecules are reported for the single ionization dissociative channel NO[Formula: see text] + N and the double ionization dissociative channel NO[Formula: see text] + N[Formula: see text]. The ionizations of multiple orbitals for the two studied dissociative channels were identified via studying the orientation dependent ionization rates for their KERs. The results show that the shape of the ionizing orbitals governs the single and double ionization processes of N2O.

Precise determination of the orientation of the transition dipole moment in a Bodipy derivative by analysis of the magnetophotoselection effect

2018 ◽  
Vol 20 (31) ◽  
pp. 20497-20503 ◽  
Author(s):  
Antonio Toffoletti ◽  
Zhijia Wang ◽  
Jianzhang Zhao ◽  
Matteo Tommasini ◽  
Antonio Barbon
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Transition Dipole Moment ◽  
Precise Determination ◽  
Transition Dipole ◽  
Molecular Frame

Precise determination, in isotropic samples, of the electronic transition dipole moment orientation in the molecular frame by exploiting magnetophotoselection effects.

scholarly journals Carbon K-shell photoionization of CO: Molecular frame angular distributions of normal and conjugate shakeup satellites

2011 ◽  
Vol 183 (1-3) ◽  
pp. 48-52 ◽  
Author(s):  
T. Jahnke ◽  
J. Titze ◽  
L. Foucar ◽  
R. Wallauer ◽  
T. Osipov ◽  
...  
Keyword(s):  
Angular Distributions ◽  
Molecular Frame

scholarly journals K-shell photoionization of N2: Angular resolved molecular frame photoelectron – Auger electron coincidence spectra

2009 ◽  
Vol 194 (2) ◽  
pp. 022063
Author(s):  
N A Cherepkov ◽  
S K Semenov ◽  
M S Schöffler ◽  
J Titze ◽  
N Petridis ◽  
...  
Keyword(s):  
Auger Electron ◽  
Coincidence Spectra ◽  
Molecular Frame
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