Temperature dependent iodide oxidation by MLCT excited states

2014 ◽  
Vol 43 (47) ◽  
pp. 17856-17863 ◽  
Author(s):  
Atefeh Taheri ◽  
Gerald J. Meyer
Keyword(s):  
Excited State ◽  
Excited States ◽  
Temperature Dependent ◽  
Iodide Oxidation ◽  
First Time

Temperature dependent excited state iodide oxidation by two heteroleptic Ru polypyridyl compounds was quantified for the first time.

scholarly journals Excited-State Relaxation in Luminescent Molybdenum(0) Complexes with Isocyanide Chelate Ligands

Inorganics ◽  
2020 ◽  
Vol 8 (2) ◽  
pp. 14
Author(s):  
Patrick Herr ◽  
Oliver S. Wenger
Keyword(s):  
Excited State ◽  
Excited States ◽  
Quantum Yields ◽  
Nonradiative Relaxation ◽  
Temperature Dependent ◽  
Tert Butyl ◽  
Thermally Activated ◽  
Ligand Charge Transfer ◽  
Order Of Magnitude ◽  
Electronic Ground

Diisocyanide ligands with a m-terphenyl backbone provide access to Mo0 complexes exhibiting the same type of metal-to-ligand charge transfer (MLCT) luminescence as the well-known class of isoelectronic RuII polypyridines. The luminescence quantum yields and lifetimes of the homoleptic tris(diisocyanide) Mo0 complexes depend strongly on whether methyl- or tert-butyl substituents are placed in α-position to the isocyanide groups. The bulkier tert-butyl substituents lead to a molecular structure in which the three individual diisocyanides ligated to one Mo0 center are interlocked more strongly into one another than the ligands with the sterically less demanding methyl substituents. This rigidification limits the distortion of the complex in the emissive excited-state, causing a decrease of the nonradiative relaxation rate by one order of magnitude. Compared to RuII polypyridines, the molecular distortions in the luminescent 3MLCT state relative to the electronic ground state seem to be smaller in the Mo0 complexes, presumably due to delocalization of the MLCT-excited electron over greater portions of the ligands. Temperature-dependent studies indicate that thermally activated nonradiative relaxation via metal-centered excited states is more significant in these homoleptic Mo0 tris(diisocyanide) complexes than in [Ru(2,2′-bipyridine)3]2+.

scholarly journals Study of Millimeter-Wave Rotational Spectra ofTrioxane in Ground, v(A), v1(E) = 1 and v2(E) = 1 States

2009 ◽  
Vol 6 (s1) ◽  
pp. S259-S279 ◽  
Author(s):  
Masoud Motamedi ◽  
Najmehalsadat Khademi
Keyword(s):  
Excited State ◽  
Excited States ◽  
Millimeter Wave ◽  
Ground State ◽  
Vibrational States ◽  
Rotational Spectra ◽  
First Time

The millimeter-wave rotational spectra of the ground and excited vibrational states v(A), v1(E) =1 and v2(E ) =1 of the oblate symmetric top molecule, (CH2O)3, have been analyzed again. The B0= 5273.25747MHz, DJ= 1.334547 kHz, DJk= -2.0206 kHz, HJ(-1.01 mHz), HJK(-3.80 mHz), and HKJ(4.1 mHz) have been determined for ground state. For non degenerate excited state, vA(1), the B = 5260.227723 MHz and DJand DJKwere determined 1.27171 kHz and -1.8789 kHz respectively. The 1=±1 series have been assigned in two different excited states v1(E) =1 and v2(E) =1.Most of the parameters were determined with higher accuracy compare with before. For the v2(E) =1 state the Cζ=-1940.54(11) MHz and qJ= 0.0753 (97) kHz were determined for the first time.

Excited-state dynamics of Si–rhodamine and its aggregates: versatile fluorophores for NIR absorption

2016 ◽  
Vol 18 (3) ◽  
pp. 2097-2103 ◽  
Author(s):  
Sooyeon Kim ◽  
Mamoru Fujitsuka ◽  
Mikiji Miyata ◽  
Tetsuro Majima
Keyword(s):  
Excited State ◽  
Excited States ◽  
Time Resolved ◽  
Time Resolved Spectroscopy ◽  
Excited State Dynamics ◽  
Nir Absorption ◽  
First Time

The properties of SiR monomers and aggregates in the excited states are thoroughly characterized for the first time using time-resolved spectroscopy.

scholarly journals Достижение субпикосекундного временного разрешения при исследовании процессов анизотропной релаксации биологических молекул

2020 ◽  
Vol 46 (4) ◽  
pp. 7
Author(s):  
И.А. Горбунова ◽  
М.Э. Сасин ◽  
О.С. Васютинский
Keyword(s):  
Energy Transfer ◽  
Excited State ◽  
Excited States ◽  
Rotational Diffusion ◽  
Laser Pulses ◽  
Femtosecond Laser Pulses ◽  
Polyatomic Molecules ◽  
Biological Molecules ◽  
Pump Probe ◽  
First Time

A novel pump-probe method has been developed to study anisotropic relaxation and energy transfer in excited states of polyatomic molecules excited by femtosecond laser pulses. The method was used to study the rotational diffusion of NADH with a temporal resolution of about 0.6 ps. For the first time, absorption from the excited state of biological molecules pumped by laser pulses with energies of 1 nJ was detected

FTIR Study of the v12 and the v12 + v14 — v14 Bands of 1,3,5-Triazine Near 740 cm-1

1992 ◽  
Vol 47 (12) ◽  
pp. 1197-1203
Author(s):  
Wolfram Bodenmüller ◽  
Andreas Ruoff ◽  
Laurent Manceron
Keyword(s):  
Fourier Transform ◽  
Excited State ◽  
Infrared Spectrum ◽  
Excited States ◽  
Ground State ◽  
Fourier Transform Spectrometer ◽  
Ftir Study ◽  
Hot Band ◽  
Standard Deviations ◽  
First Time

Abstract The infrared spectrum of the v12 fundamental and its accompanying hot band v12 + v14 - v14 of triazine has been measured by means of a Fourier transform spectrometer with a resolution of about 0.0023 cm-1 . A total of about 2779 rovibrational transitions has been assigned. The ground state constants have been considerably improved whilst the parameters for the excited states v12 = 1, v14 = 1 and v12 = v14 = 1 have been obtained for the first time. The standard deviations were 2.92 • 10-4 cm-1 for the ground state constants and 1.53 • 10-4 cm -1 for the excited state parameters of v12 showing the latter to be unperturbed. The upper state of the hot band v12 + v14 - v14 was found to be perturbed by an accidental resonance.

Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

2019 ◽  
Author(s):  
Matthew M. Brister ◽  
Carlos Crespo-Hernández
Keyword(s):  
Excited State ◽  
Excited States ◽  
Ground State ◽  
Transient Absorption ◽  
Electronic Energy ◽  
Transient Absorption Spectroscopy ◽  
Electronic Relaxation ◽  
Vibrationally Excited ◽  
Excited State Dynamics ◽  
Π State

<p></p><p> Damage to RNA from ultraviolet radiation induce chemical modifications to the nucleobases. Unraveling the excited states involved in these reactions is essential, but investigations aimed at understanding the electronic-energy relaxation pathways of the RNA nucleotide uridine 5’-monophosphate (UMP) have not received enough attention. In this Letter, the excited-state dynamics of UMP is investigated in aqueous solution. Excitation at 267 nm results in a trifurcation event that leads to the simultaneous population of the vibrationally-excited ground state, a longlived <sup>1</sup>n<sub>O</sub>π* state, and a receiver triplet state within 200 fs. The receiver state internally convert to the long-lived <sup>3</sup>ππ* state in an ultrafast time scale. The results elucidate the electronic relaxation pathways and clarify earlier transient absorption experiments performed for uracil derivatives in solution. This mechanistic information is important because long-lived nπ* and ππ* excited states of both singlet and triplet multiplicities are thought to lead to the formation of harmful photoproducts.</p><p></p>

The Malleable Excited States of Benzothiadiazole Dyes and Investigation of their Potential for Photochemical Control

2019 ◽  
Author(s):  
Caroline C. Warner ◽  
andrea thooft ◽  
Bryan J. Lampkin ◽  
selin demirci ◽  
Brett VanVeller
Keyword(s):  
Excited State ◽  
Excited States ◽  
Polar Solvent ◽  
Nonpolar Solvent ◽  
Photochemical Degradation ◽  
Solvent Lead ◽  
Environmentally Sensitive

<p>A strategy to control the efficiency of a photocleavage reaction based on changing the nature of the excited state is presented. A novel class of photoactive compounds has been synthesized by combining the classical o-nitrobenzyl scaffold with an environmentally sensitive dye, 4-amino-nitrobenzothiazole. Irradiation in a polar solvent lead to an excited state that is inoperative for photochemistry whereas excitation in a nonpolar solvent lead to an excited state that is photochemically active. A photochemical degradation appears to be the preferred process in contrast to the intended photocleavage process.</p>

Excited State Tracking During the Relaxation of Coordination Compounds

2018 ◽  
Author(s):  
Juan Sanz García ◽  
Martial Boggio-Pasqua ◽  
Ilaria Ciofini ◽  
Marco Campetella
Keyword(s):  
Excited State ◽  
Excited States ◽  
Potential Energy Surfaces ◽  
Photochemical Reactions ◽  
Complex Nature ◽  
Electronic Excited States ◽  
Ruthenium Nitrosyl ◽  
State Tracking ◽  
Energy Surfaces ◽  
Electronic Wavefunction

<div>The ability to locate minima on electronic excited states (ESs) potential energy surfaces (PESs) both in the case of bright and dark states is crucial for a full understanding of photochemical reactions. This task has become a standard practice for small- to medium-sized organic chromophores thanks to the constant developments in the field of computational photochemistry. However, this remains a very challenging effort when it comes to the optimization of ESs of transition metal complexes (TMCs), not only due to the presence of several electronic excited states close in energy, but also due to the complex nature of the excited states involved. In this article, we present a simple yet powerful method to follow an excited state of interest during a structural optimization in the case of TMC, based on the use of a compact hole-particle representation of the electronic transition, namely the natural transition orbitals (NTOs). State tracking using NTOs is unambiguously accomplished by computing the mono-electronic wavefunction overlap between consecutive steps of the optimization. Here, we demonstrate that this simple but robust procedure works not only in the case of the cytosine but also in the case of the ES optimization of a ruthenium-nitrosyl complex which is very problematic with standard approaches.</div>

scholarly journals Thermochromic aggregation-induced dual phosphorescence via temperature-dependent sp3-linked donor-acceptor electronic coupling

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Tao Wang ◽  
Zhubin Hu ◽  
Xiancheng Nie ◽  
Linkun Huang ◽  
Miao Hui ◽  
...  
Keyword(s):  
Excited State ◽  
Room Temperature ◽  
Electronic Coupling ◽  
Temperature Dependent ◽  
Molecular Systems ◽  
Donor And Acceptor ◽  
Theoretical Investigations ◽  
Donor Acceptor ◽  
And Control ◽  
Two Temperature

AbstractAggregation-induced emission (AIE) has proven to be a viable strategy to achieve highly efficient room temperature phosphorescence (RTP) in bulk by restricting molecular motions. Here, we show that by utilizing triphenylamine (TPA) as an electronic donor that connects to an acceptor via an sp3 linker, six TPA-based AIE-active RTP luminophores were obtained. Distinct dual phosphorescence bands emitting from largely localized donor and acceptor triplet emitting states could be recorded at lowered temperatures; at room temperature, only a merged RTP band is present. Theoretical investigations reveal that the two temperature-dependent phosphorescence bands both originate from local/global minima from the lowest triplet excited state (T1). The reported molecular construct serves as an intermediary case between a fully conjugated donor-acceptor system and a donor/acceptor binary mix, which may provide important clues on the design and control of high-freedom molecular systems with complex excited-state dynamics.

scholarly journals Temperature-Dependent Photoluminescence of ZnO Thin Films Grown on Off-Axis SiC Substrates by APMOCVD

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 1035
Author(s):  
Ivan Shtepliuk ◽  
Volodymyr Khranovskyy ◽  
Arsenii Ievtushenko ◽  
Rositsa Yakimova
Keyword(s):  
Optical Properties ◽  
Structural Quality ◽  
Organic Chemical ◽  
Zno Films ◽  
Vicinal Surfaces ◽  
Temperature Dependent ◽  
Step Flow ◽  
Step Flow Growth ◽  
First Time ◽  
Temperature Dependent Photoluminescence

The growth of high-quality ZnO layers with optical properties congruent to those of bulk ZnO is still a great challenge. Here, for the first time, we systematically study the morphology and optical properties of ZnO layers grown on SiC substrates with off-cut angles ranging from 0° to 8° by using the atmospheric pressure meta–organic chemical vapor deposition (APMOCVD) technique. Morphology analysis revealed that the formation of the ZnO films on vicinal surfaces with small off-axis angles (1.4°–3.5°) follows the mixed growth mode: from one side, ZnO nucleation still occurs on wide (0001) terraces, but from another side, step-flow growth becomes more apparent with the off-cut angle increasing. We show for the first time that the off-cut angle of 8° provides conditions for step-flow growth of ZnO, resulting in highly improved growth morphology, respectively structural quality. Temperature-dependent photoluminescence (PL) measurements showed a strong dependence of the excitonic emission on the off-cut angle. The dependences of peak parameters for bound exciton and free exciton emissions on temperature were analyzed. The present results provide a correlation between the structural and optical properties of ZnO on vicinal surfaces and can be utilized for controllable ZnO heteroepitaxy on SiC toward device-quality ZnO epitaxial layers with potential applications in nano-optoelectronics.

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