Optimal Representation of the Nuclear Ensemble: Application to Electronic Spectroscopy

2021 ◽  
Author(s):  
Štěpán Sršeň ◽  
Petr Slavíček
Keyword(s):  
Electronic Spectroscopy ◽  
Optimal Representation

Coordination Compounds of Some 3d-Transition Metal Ions with N1-[4-(4-bromo-phenylsulfonyl)-benzoyl]-N4-(4-methoxyphenyl)- thiosemicarbazide

2008 ◽  
Vol 59 (7) ◽  
Author(s):  
Madalina Angelusiu ◽  
Maria Negoiu ◽  
Stefania-Felicia Barbuceanu ◽  
Tudor Rosu
Keyword(s):  
Coordination Compounds ◽  
Magnetic Moments ◽  
Thermo Gravimetric Analysis ◽  
Electronic Spectroscopy ◽  
Transition Metal Ions ◽  
Synthesis And Characterization ◽  
Gravimetric Analysis ◽  
Thermo Gravimetric ◽  
New Compounds

The paper presents the synthesis and characterization of Cu(II), Co(II), Ni(II), Cd(II), Zn(II) and Hg(II) complexes with N1-[4-(4-bromo-phenylsulfonyl)-benzoyl]-N4-(4-methoxyphenyl)-thiosemicarbazide. The new compounds were characterized by IR, EPR, electronic spectroscopy, magnetic moments, thermo-gravimetric analysis and elemental analysis.

Spectroscopy Fundamentals

2017 ◽  
Author(s):  
Kelly Chance ◽  
Randall V. Martin
Keyword(s):  
Vibrational Spectroscopy ◽  
Cross Sections ◽  
Nuclear Spin ◽  
Electronic Spectroscopy ◽  
Rotational Spectroscopy ◽  
Absorption Cross ◽  
Transfer Processes ◽  
Atmospheric Spectroscopy ◽  
Quantitative Spectroscopy ◽  
Broad Overview

This chapter provides a broad overview of the spectroscopic principles required in order to perform quantitative spectroscopy of atmospheres. It couples the details of atmospheric spectroscopy with the radiative transfer processes and also with the assessment of rotational, vibrational, and electronic spectroscopic measurements of atmospheres. The principles apply from line-resolved measurements (chiefly microwave through infrared) through ultraviolet and visible measurements employing absorption cross sections developed from individual transitions. The chapter introduces Einstein coefficients before in turn discussing rotational spectroscopy, vibrational spectroscopy, nuclear spin, and electronic spectroscopy.

Ultrafast fs coherent excitonic dynamics in CdSe quantum dots assemblies addressed and probed by 2D electronic spectroscopy

2021 ◽  
Vol 154 (1) ◽  
pp. 014301
Author(s):  
Elisabetta Collini ◽  
Hugo Gattuso ◽  
R. D. Levine ◽  
F. Remacle
Keyword(s):  
Quantum Dots ◽  
Electronic Spectroscopy ◽  
Cdse Quantum Dots

scholarly journals Excitonic structure and charge separation in the heliobacterial reaction center probed by multispectral multidimensional spectroscopy

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yin Song ◽  
Riley Sechrist ◽  
Hoang H. Nguyen ◽  
William Johnson ◽  
Darius Abramavicius ◽  
...  
Keyword(s):  
Reaction Center ◽  
Charge Separation ◽  
Electronic Spectroscopy ◽  
Spectroscopic Studies ◽  
Primary Electron ◽  
Reaction Centers ◽  
Separation Mechanism ◽  
Photosynthetic Reaction Centers ◽  
Density Analysis ◽  
Function Relationship

AbstractPhotochemical reaction centers are the engines that drive photosynthesis. The reaction center from heliobacteria (HbRC) has been proposed to most closely resemble the common ancestor of photosynthetic reaction centers, motivating a detailed understanding of its structure-function relationship. The recent elucidation of the HbRC crystal structure motivates advanced spectroscopic studies of its excitonic structure and charge separation mechanism. We perform multispectral two-dimensional electronic spectroscopy of the HbRC and corresponding numerical simulations, resolving the electronic structure and testing and refining recent excitonic models. Through extensive examination of the kinetic data by lifetime density analysis and global target analysis, we reveal that charge separation proceeds via a single pathway in which the distinct A0 chlorophyll a pigment is the primary electron acceptor. In addition, we find strong delocalization of the charge separation intermediate. Our findings have general implications for the understanding of photosynthetic charge separation mechanisms, and how they might be tuned to achieve different functional goals.

scholarly journals Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study

ChemPhysChem ◽  
2014 ◽  
Vol 15 (15) ◽  
pp. 3282-3290 ◽  
Author(s):  
Artur Nenov ◽  
Silvio a Beccara ◽  
Ivan Rivalta ◽  
Giulio Cerullo ◽  
Shaul Mukamel ◽  
...  
Keyword(s):  
Simulation Study ◽  
First Principles ◽  
Conformational Dynamics ◽  
Electronic Spectroscopy ◽  
Aromatic Residues

The identification of In2O in the gas phase by high resolution electronic spectroscopy

1997 ◽  
Vol 107 (11) ◽  
pp. 4439-4442 ◽  
Author(s):  
Nicholas M. Lakin ◽  
Ger van den Hoek ◽  
Ian R. Beattie ◽  
John M. Brown
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
Electronic Spectroscopy

scholarly journals Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy

2014 ◽  
Vol 140 (8) ◽  
pp. 084701 ◽  
Author(s):  
Justin R. Caram ◽  
Haibin Zheng ◽  
Peter D. Dahlberg ◽  
Brian S. Rolczynski ◽  
Graham B. Griffin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electronic Spectroscopy ◽  
Cdse Quantum Dots ◽  
Two Dimensional
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