The role of charge-transfer (CT) electronic states in photo-physical processes in organic electroluminescent materials (Conference Presentation)

2019 ◽  
Author(s):  
Xiankai Chen
Keyword(s):  
Charge Transfer ◽  
Electronic States ◽  
Physical Processes ◽  
Organic Electroluminescent

The role of pyrimidine nucleobase excimers in DNA photophysics and photoreactivity

2009 ◽  
Vol 81 (9) ◽  
pp. 1695-1705 ◽  
Author(s):  
Israel González-Ramírez ◽  
Teresa Climent ◽  
Juan José Serrano-Pérez ◽  
Remedios González-Luque ◽  
Manuela Merchán ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Quantum Chemical ◽  
Electronic States ◽  
Conical Intersections ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Dna Nucleobases ◽  
Surface Crossings

Quantum chemical studies using the accurate CASPT2//CASSCF procedure show that π-stacked interactions in biochromophores such as pyrimidine (Pyr) DNA/RNA nucleobases pairs yield excimer-like situations which behave as precursors of processes like charge transfer (CT) or photoreactivity and are the source of the emissive properties in DNA. Examples are the CT between adjacent DNA nucleobases in a strand of oligonucleotides and the photodimerization taking place in cytosine (C) pairs leading to cyclobutanecytosine (CBC) mutants. These processes take place through nonadiabatic photochemical mechanisms whose evolution is determined by the presence and accessibility of conical intersections (CIs) and other surface crossings between different electronic states.

scholarly journals Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors

2019 ◽  
Vol 18 (10) ◽  
pp. 1084-1090 ◽  
Author(s):  
Hiroki Noda ◽  
Xian-Kai Chen ◽  
Hajime Nakanotani ◽  
Takuya Hosokai ◽  
Momoka Miyajima ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Organic Molecules ◽  
Critical Role ◽  
Electronic States ◽  
Spin Flip ◽  
Multiple Donors

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

scholarly journals Recent Decadal Changes in Heat Waves over China: Drivers and Mechanisms

2019 ◽  
Vol 32 (14) ◽  
pp. 4215-4234 ◽  
Author(s):  
Qin Su ◽  
Buwen Dong
Keyword(s):  
Heat Waves ◽  
Asian Summer Monsoon ◽  
Early Period ◽  
Spatial Extent ◽  
Physical Processes ◽  
Southeastern China ◽  
Anthropogenic Aerosol ◽  
Asian Summer ◽  
Frequency Intensity

Abstract Observational analysis indicates significant decadal changes in daytime, nighttime, and compound (both daytime and nighttime) heat waves (HWs) over China across the mid-1990s, featuring a rapid increase in frequency, intensity, and spatial extent. The variations of these observed decadal changes are assessed by the comparison between the present day (PD) of 1994–2011 and the early period (EP) of 1964–81. The compound HWs change most remarkably in all three aspects, with frequency averaged over China in the PD tripling that in the EP and intensity and spatial extent nearly doubling. The daytime and nighttime HWs also change significantly in all three aspects. A set of numerical experiments is used to investigate the drivers and physical processes responsible for the decadal changes of the HWs. Results indicate the predominant role of the anthropogenic forcing, including changes in greenhouse gas (GHG) concentrations and anthropogenic aerosol (AA) emissions in the HW decadal changes. The GHG changes have dominant impacts on the three types of HWs, while the AA changes make significant influences on daytime HWs. The GHG changes increase the frequency, intensity, and spatial extent of the three types of HWs over China both directly via the strengthened greenhouse effect and indirectly via land–atmosphere and circulation feedbacks in which GHG-change-induced warming in sea surface temperature plays an important role. The AA changes decrease the frequency and intensity of daytime HWs over Southeastern China through mainly aerosol–radiation interaction, but increase the frequency and intensity of daytime HWs over Northeastern China through AA-change-induced surface–atmosphere feedbacks and dynamical changes related to weakened East Asian summer monsoon.

scholarly journals Physical Processes in Nebular Shells and the Interpretation of Nebular Spectra

1983 ◽  
Vol 103 ◽  
pp. 219-227
Author(s):  
J. Patrick Harrington
Keyword(s):  
Charge Transfer ◽  
Simple Model ◽  
Stellar Wind ◽  
High Velocity ◽  
Planetary Nebulae ◽  
Geometrical Parameters ◽  
Stellar Winds ◽  
Physical Processes ◽  
Rapid Cooling ◽  
Particle Distributions

Computed models are now recognized as useful tools for interpretation of the spectra of planetary nebulae. However, even the most detailed models need geometrical parameters such as filling factors which are poorly determined by observations. Some effects may be seen more clearly by modeling the stratification than by just using total fluxes. A simple model for NGC 6720 is presented which reproduces the behavior of (Ne III) λ3869 observed by Hawley and Miller (1977), clearly showing the effects of charge transfer. The behavior of C II λ4267 remains puzzling. Finally, we comment on the interaction of high velocity stellar winds with nebular shells. Non-equilibrium particle distributions at the contact between the shocked stellar wind and the nebula may result in the rapid cooling of the shocked gas.

scholarly journals Atlantic Hurricanes and Climate Change. Part II: Role of Thermodynamic Changes in Decreased Hurricane Frequency

2013 ◽  
Vol 26 (21) ◽  
pp. 8513-8528 ◽  
Author(s):  
Megan S. Mallard ◽  
Gary M. Lackmann ◽  
Anantha Aiyyer
Keyword(s):  
Case Studies ◽  
Wind Shear ◽  
Vertical Wind Shear ◽  
Vertical Wind ◽  
Effect Of Temperature ◽  
Physical Processes ◽  
Thermodynamic Conditions ◽  
Atlantic Hurricanes ◽  
Reduced Activity

Abstract A method of downscaling that isolates the effect of temperature and moisture changes on tropical cyclone (TC) activity was presented in Part I of this study. By applying thermodynamic modifications to analyzed initial and boundary conditions from past TC seasons, initial disturbances and the strength of synoptic-scale vertical wind shear are preserved in future simulations. This experimental design allows comparison of TC genesis events in the same synoptic setting, but in current and future thermodynamic environments. Simulations of both an active (September 2005) and inactive (September 2009) portion of past hurricane seasons are presented. An ensemble of high-resolution simulations projects reductions in ensemble-average TC counts between 18% and 24%, consistent with previous studies. Robust decreases in TC and hurricane counts are simulated with 18- and 6-km grid lengths, for both active and inactive periods. Physical processes responsible for reduced activity are examined through comparison of monthly and spatially averaged genesis-relevant parameters, as well as case studies of development of corresponding initial disturbances in current and future thermodynamic conditions. These case studies show that reductions in TC counts are due to the presence of incipient disturbances in marginal moisture environments, where increases in the moist entropy saturation deficits in future conditions preclude genesis for some disturbances. Increased convective inhibition and reduced vertical velocity are also found in the future environment. It is concluded that a robust decrease in TC frequency can result from thermodynamic changes alone, without modification of vertical wind shear or the number of incipient disturbances.

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