Exploring photochemistry of p-bromophenylsulfonyl, p-tolylsulfonyl and methylsulfonyl azides by ultrafast UV-pump–IR-probe spectroscopy and computations

2016 ◽  
Vol 18 (12) ◽  
pp. 8662-8672 ◽  
Author(s):  
A. V. Kuzmin ◽  
C. Neumann ◽  
L. J. G. W. van Wilderen ◽  
B. A. Shainyan ◽  
J. Bredenbeck
Keyword(s):  
Quantum Chemical ◽  
Time Resolved ◽  
Probe Spectroscopy ◽  
Quantum Chemical Computations

The photochemistry of three sulfonylazides was studied by femtosecond time-resolved infrared (TRIR) spectroscopy and quantum chemical computations.

Dirac Surface Plasmons in Photoexcited Bismuth Telluride Nanowires : Optical Pump-Terahertz Probe Spectroscopy

Nanoscale ◽  
2021 ◽  
Author(s):  
Mithun K P ◽  
Srabani Kar ◽  
Abinash Kumar ◽  
Victor Suvisesha Muthu Dharmaraj ◽  
Ravishankar Narayanan ◽  
...  
Keyword(s):  
Surface Plasmons ◽  
Bismuth Telluride ◽  
Topological Insulators ◽  
Collective Excitation ◽  
Optical Pump ◽  
Time Resolved ◽  
Mid Infrared ◽  
Plasmonic Materials ◽  
Probe Spectroscopy

Collective excitation of Dirac plasmons in graphene and topological insulators have opened new possibilities of tunable plasmonic materials ranging from THz to mid-infrared regions. Using time resolved Optical Pump -...

scholarly journals Standard Molar Enthalpies of Formation of Halomethanes Based on Quantum Chemical Computations

2020 ◽  
Author(s):  
Konstantinos Kalamatianos
Keyword(s):  
Gas Phase ◽  
Quantum Chemical ◽  
Halogen Bond ◽  
Chemical Processes ◽  
Enthalpies Of Formation ◽  
Isodesmic Reaction ◽  
Gold Standard Method ◽  
Ozone Destruction ◽  
Quantum Chemical Computations ◽  
Reaction Schemes

Accurate calculations of standard molar enthalpies of formation (ΔΗf°)m(g) and carbon-halogen bond dissociation enthalpies, BDE, of a variety of halomethanes with relevance on several atmospheric chemical processes and particularly to ozone destruction, were performed in the gas phase at 298.15 K. The (ΔΗf°)m(g) of the radicals formed through bond dissociations have also been computed. Ab initio computational methods and isodesmic reaction schemes were used. It is found that for the large majority of these species, the gold standard method of quantum chemistry (CCSD(T)) and even MP2 are capable to predict enthalpy values nearing chemical accuracy provided that isodesmic reaction schemes are used. New estimates for standard molar enthalpies of formation and BDE are suggested including for species that to our knowledge there are no experimental (ΔΗf°)m(g) (CHCl2Br, CHBr2Cl, CHBrCl, CHICl, CHIBr) or BDE values (CHCl2Br, CHBr2Cl, CHBrCl, CHICl, CHIBr) available in the literature. The method and calculational procedures presented may profitably be used to obtain accurate (ΔΗf°)m(g) and BDE values for these species.

An Introduction to Time-Resolved Pump/Probe Spectroscopy

1985 ◽  
Vol 39 (3) ◽  
pp. 444-451 ◽  
Author(s):  
F. E. Lytle ◽  
R. M. Parrish ◽  
W. T. Barnes
Keyword(s):  
Absorption Spectra ◽  
Ground State ◽  
Fluorescence Spectra ◽  
Excited State Absorption ◽  
Time Dependent ◽  
Triplet Excited State ◽  
Ground State Absorption ◽  
Time Resolved ◽  
Pump Probe ◽  
Probe Spectroscopy

The construction and operating principles of a two-color pump/probe spectrometer are described. This instrument is capable of obtaining ground-state absorption spectra, both singlet-singlet and triplet-triplet excited-state absorption spectra, photoproduct spectra, and stimulated fluorescence spectra. In addition, time-dependent measurements can be made with an impulse response of 250 ps and a free temporal range of 13 ns.

Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations

2016 ◽  
Vol 18 (4) ◽  
pp. 2548-2563 ◽  
Author(s):  
Stefanie A. Mewes ◽  
Jan-Michael Mewes ◽  
Andreas Dreuw ◽  
Felix Plasser
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Phenylene Vinylene ◽  
High Level ◽  
Quantum Chemical Computations

Exciton analyses of high-level quantum-chemical computations for poly(paraphenylene vinylene) reveal the nature of the excitonic bands in PPV oligomers.

scholarly journals Time-Resolved Pump-Probe Spectroscopy with Spectral Domain Ghost Imaging

2020 ◽  
Author(s):  
Siqi Li ◽  
Taran Driver ◽  
Oliver Alexander ◽  
Bridgette Cooper ◽  
Douglas Garratt ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Pump Pulse ◽  
Chemical Bonding ◽  
Atomic Level ◽  
Spectral Domain ◽  
Ghost Imaging ◽  
Time Resolved ◽  
Pump Probe ◽  
Probe Spectroscopy

An atomic-level picture of molecular and bulk processes, such as chemical bonding and charge transfer, necessitatesanunderstandingofthedynamicalevolutionofthesesystems. Ontheultrafasttimescalesassociatedwithnuclearandelectronicmotion,thetemporalbehaviourofasystem is often interrogated in a ‘pump-probe’ scheme. Here, an initial ‘pump’ pulse triggers...

scholarly journals Toward time-resolved laser T-jump/X-ray probe spectroscopy in aqueous solutions

2019 ◽  
Vol 6 (6) ◽  
pp. 064303 ◽  
Author(s):  
O. Cannelli ◽  
C. Bacellar ◽  
R. A. Ingle ◽  
R. Bohinc ◽  
D. Kinschel ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Time Resolved ◽  
X Ray ◽  
Probe Spectroscopy
Sign in / Sign up

Export Citation Format

Share Document