scholarly journals Time-Resolved Femtosecond Stimulated Raman Spectra and DFT Anharmonic Vibrational Analysis of an Electronically Excited Rhenium Photosensitizer

2020 ◽  
Vol 124 (7) ◽  
pp. 1253-1265
Author(s):  
Martin Pižl ◽  
Alessandra Picchiotti ◽  
Mateusz Rebarz ◽  
Nils Lenngren ◽  
Liu Yingliang ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Electronically Excited ◽  
Stimulated Raman

Vibrational relaxation dynamics of β-carotene and its derivatives with substituents on terminal rings in electronically excited states as studied by femtosecond time-resolved stimulated Raman spectroscopy in the near-IR region

2018 ◽  
Vol 20 (5) ◽  
pp. 3320-3327 ◽  
Author(s):  
Tomohisa Takaya ◽  
Masato Anan ◽  
Koichi Iwata
Keyword(s):  
Raman Spectroscopy ◽  
Excited States ◽  
Vibrational Relaxation ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Near Ir ◽  
Electronically Excited ◽  
Carbonyl Substitution ◽  
Β Carotene ◽  
Stimulated Raman

Time-resolved near-IR stimulated Raman spectroscopy indicates acceleration of vibrational relaxation in carotenoids by carbonyl substitution on their peripheral rings.

Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity

2019 ◽  
Vol 21 (7) ◽  
pp. 3606-3614 ◽  
Author(s):  
Maria Gabriella Chiariello ◽  
Umberto Raucci ◽  
Federico Coppola ◽  
Nadia Rega
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Anharmonic Coupling ◽  
New Time

We adopted excited state ab initio dynamics and a new time resolved vibrational analysis to unveil coupling between modes promoting photorelaxation.

scholarly journals Ultrafast proton release reaction and primary photochemistry of phycocyanobilin in solution observed with fs-time-resolved mid-IR and UV/Vis spectroscopy

2021 ◽  
Author(s):  
Maximilian Theiß ◽  
Merten Grupe ◽  
Tilman Lamparter ◽  
Maria Andrea Mroginski ◽  
Rolf Diller
Keyword(s):  
Density Functional ◽  
Transient Absorption ◽  
Vibrational Analysis ◽  
Density Functional Theory Calculations ◽  
Chem Phys ◽  
Molecular Structures ◽  
Ir Absorption ◽  
Time Resolved ◽  
Time Constants ◽  
Vis Spectroscopy

AbstractDeactivation processes of photoexcited (λex = 580 nm) phycocyanobilin (PCB) in methanol were investigated by means of UV/Vis and mid-IR femtosecond (fs) transient absorption (TA) as well as static fluorescence spectroscopy, supported by density-functional-theory calculations of three relevant ground state conformers, PCBA, PCBB and PCBC, their relative electronic state energies and normal mode vibrational analysis. UV/Vis fs-TA reveals time constants of 2.0, 18 and 67 ps, describing decay of PCBB*, of PCBA* and thermal re-equilibration of PCBA, PCBB and PCBC, respectively, in line with the model by Dietzek et al. (Chem Phys Lett 515:163, 2011) and predecessors. Significant substantiation and extension of this model is achieved first via mid-IR fs-TA, i.e. identification of molecular structures and their dynamics, with time constants of 2.6, 21 and 40 ps, respectively. Second, transient IR continuum absorption (CA) is observed in the region above 1755 cm−1 (CA1) and between 1550 and 1450 cm−1 (CA2), indicative for the IR absorption of highly polarizable protons in hydrogen bonding networks (X–H…Y). This allows to characterize chromophore protonation/deprotonation processes, associated with the electronic and structural dynamics, on a molecular level. The PCB photocycle is suggested to be closed via a long living (> 1 ns), PCBC-like (i.e. deprotonated), fluorescent species.

Time-resolved resonance Raman spectra of transient species of photochromic 2-(2′,4′-dinitrobenzyl) pyridine

1986 ◽  
Vol 146 ◽  
pp. 91-99 ◽  
Author(s):  
Hiroaki Takahashi ◽  
Shigeru Hirukawa ◽  
Shinichi Suzuki ◽  
Yoshimi Torii ◽  
Hiroaki Isaka
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Transient Species ◽  
Time Resolved ◽  
Resonance Raman Spectra

Infrared and Raman Spectra of 2,3-, 2,4-, and 2,5-Dimethylbenzonitriles

1986 ◽  
Vol 40 (7) ◽  
pp. 933-939 ◽  
Author(s):  
T. V. K. Sarma
Keyword(s):  
Raman Spectra ◽  
Vibration Mode ◽  
Point Group ◽  
Vibrational Analysis ◽  
Infrared And Raman Spectra

The infrared and Raman spectra of 2,3-, 2,4-, and 2,5-dimethylbenzonitriles are recorded in the regions 400 to 4000 cm−1 and 100 to 4000 cm−1, respectively. Depolarization measurements are also undertaken. Assuming a C, point group for all the molecules, vibrational analysis is carried out. The frequencies of the umbrella vibration (mode 11) are calculated, and the calculated values agree very well with the observed values.

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