Permutational Symmetry and the Role of Nuclear Spin in the Vibrational Spectra of Molecules in Doubly Degenerate Electronic States: The Trimers of 2 S Atoms

2003 ◽  
pp. 659-741 ◽  
Author(s):  
A. J. C. Varandas ◽  
Z. R. Xu
Keyword(s):  
Vibrational Spectra ◽  
Nuclear Spin ◽  
Electronic States ◽  
Permutational Symmetry

The role of the excited electronic states in the C++H2O reaction

2008 ◽  
Vol 128 (14) ◽  
pp. 144310 ◽  
Author(s):  
Jesús R. Flores ◽  
Adán B. González
Keyword(s):  
Electronic States ◽  
Excited Electronic States

Unique Structures and Vibrational Spectra of Protic Ionic Liquids Confined in TiO2 Slits: The Role of Interfacial Hydrogen Bonds

Langmuir ◽  
2018 ◽  
Vol 34 (44) ◽  
pp. 13449-13458 ◽  
Author(s):  
Zhongyang Dai ◽  
Lili Shi ◽  
Linghong Lu ◽  
Yunhao Sun ◽  
Xiaohua Lu
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Protic Ionic Liquids

scholarly journals Роль состояний переноса заряда "лиганд-металл" в процессах возбуждения люминесценции индолкарбоксилатов европия

2022 ◽  
Vol 130 (1) ◽  
pp. 121
Author(s):  
В.И. Царюк ◽  
К.П. Журавлев
Keyword(s):  
Excitation Energy Transfer ◽  
Electronic States ◽  
Decisive Role ◽  
Low Energy ◽  
Excitation Spectra ◽  
Metal Charge ◽  
Ternary Compounds ◽  
Aromatic Carboxylates ◽  
Metal Charge Transfer

The luminescence excitation energy transfer in europium and terbium indole-3-carboxylates, indole-3-acetates and indole-3-propionates as well as ternary indolecarboxylates containing 1,10-phenanthroline and 2,2'-bipyridine molecules have been studied. The luminescence excitation spectra, the lifetimes of the 5D0 (Eu3+) and 5D4 (Tb3+) states, and the luminescence intensity are analyzed. The decisive role of ligand-metal charge transfer (LMCT) states in the quenching of the luminescence of europium aromatic carboxylates containing a π-excessive pyrrole or indole fragment is demonstrated. Most europium compounds are characterized by quenching due to the depopulation of the 5D0 state of the Eu3+ ion through the low-energy LMCT state. But in some ternary compounds, the LMCT state being of higher energy participates in the nonradiative depopulation of the excited electronic states of the ligand.

scholarly journals Детерминизм локального атомного упорядочения в монослоях золота в формировании их электронной структуры

2022 ◽  
Vol 64 (3) ◽  
pp. 303
Author(s):  
В.Л. Карбовский ◽  
А.А. Романский ◽  
Л.И. Карбовская ◽  
В.В. Стонис
Keyword(s):  
Coordination Sphere ◽  
Electronic States ◽  
Mutual Arrangement ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
The Third ◽  
Long Range Interactions ◽  
Valence Bands ◽  
D Orbitals

The total and partial densities of electronic states of gold monolayer structures of different symmetry are calculated by the quantum mechanical calculations methods in the DFT approximation. It is shown that the first coordination sphere is determinant in the formation of the fine structure and the extent of the valence bands of the monolayer gold structures under study. The peaks splitting of the TDOS curve, which leads to its finer structure, is influenced not only by the lengths of interatomic bonds but also by the mutual arrangement of atoms. The influence of long-range interactions on the electronic structure of gold monolayers has been established. For example, for the (110) plane, a change in the atomic ordering in the third coordination sphere as a result of the introduction of a vacancy leads to noticeable changes in the TDOS curve, which indicates either a significant role of the atoms of the third coordination sphere or a significant redistribution of the interaction of d-orbitals of different symmetries of close neighbours. A correlation between the packing density, as well as the number of neighbours in the first coordination sphere, and the width of the energy band of gold monolayers has been established.

The role of nuclear spin in inelastic Na (3p) + H2 collisions

1990 ◽  
Vol 175 (4) ◽  
pp. 354-358 ◽  
Author(s):  
Ricardo R.B. Correia ◽  
Goran Pichler ◽  
Silvio L. Cunha ◽  
Peter Hering
Keyword(s):  
Nuclear Spin

scholarly journals Experimental evidence for the role of paramagnetic oxygen concentration on the decay of long-lived nuclear spin order

RSC Advances ◽  
2019 ◽  
Vol 9 (40) ◽  
pp. 23418-23424 ◽  
Author(s):  
Bryan Erriah ◽  
Stuart J. Elliott
Keyword(s):  
Experimental Evidence ◽  
Oxygen Concentration ◽  
Nuclear Spin ◽  
Longitudinal Magnetization ◽  
Spin Order

The sensitivity of longitudinal magnetization and singlet order to relaxation from dissolved paramagnetic oxygen sources in solution is investigated experimentally.

Electronic states created inp‐Si subjected to plasma etching: The role of inherent impurities, point defects, and hydrogen

1993 ◽  
Vol 62 (9) ◽  
pp. 958-960 ◽  
Author(s):  
O. O. Awadelkarim ◽  
T. Gu ◽  
P. I. Mikulan ◽  
R. A. Ditizio ◽  
S. J. Fonash ◽  
...  
Keyword(s):  
Point Defects ◽  
Plasma Etching ◽  
Electronic States

Photoinduced Absorption Spectroscopy of Poly-3-Alkylthiophenes

1992 ◽  
Vol 247 ◽  
Author(s):  
C. Botta ◽  
S. Luzzati ◽  
A. Bolognesi ◽  
R. Tubino ◽  
A. Borghesi
Keyword(s):  
Absorption Spectroscopy ◽  
Near Infrared ◽  
Laser Intensity ◽  
Electronic States ◽  
Chain Mechanism ◽  
Photoinduced Absorption ◽  
Polymer Aggregates ◽  
Cast Films ◽  
Solution Cast

ABSTRACTWe report a study of the near infrared photoinduced absorption of a series of poly -3-decylthiophene with different supermolecular organization as solution cast films, good solvent and aggregated bad solvent solutions.Photoinduced subgap electronic states are detected both in the solid and in solutions independently from the presence of polymer aggregates. The study of the photoinduced activity Δ/T on the laser intensity I indicate a I0.6 dependence for the films and a I0.95 dependence for the solutions. This is the evidence that the photoinduced states are generated in the solid via an inter-chain mechanism while in the solution via an intra-chain mechanism.A possible role of the solvent into the photoexcitation pathway is discussed.

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