ライフサイエンスコーパス: excited state

1 2) excited states (phosphorescence from T(2) excited states).

2 ing that bond scission occurs from a triplet excited state.

3 however, do not exhibit aurophilicity in the excited state.

4 HOMO and LUMO rather than the first singlet excited state.

5 molecules while the rest relax to a (3)MLCT excited state.

6 harge transfer (ICT) also contributes in the excited state.

7 due to the delocalized nature of the triplet excited state.

8 cular charge-transfer (ICT) character in the excited state.

9 ant cumulenic character of the bridge in the excited state.

10 ween the ground and the first electronically excited state.

11 action proceeds efficiently from the triplet excited state.

12 d photoluminescence (PL) from a spin-singlet excited state.

13 at could be coupled to the bright (1)paipai* excited state.

14 lation of a high spin [Fe(bpy)(3)](2+)* MLCT excited state.

15 o account for non-adiabatic coupling between excited states.

16 e energies of the lowest singlet and triplet excited states.

17 -blue photoluminescence from charge-transfer excited states.

18 d mixing between charge-transfer and locally excited states.

19 onon relaxation and molecule-like long-lived excited states.

20 change its aromatic character in its lowest excited states.

21 nal changes to a broad spectrum of different excited states.

22 cale NMR relaxation rates between ground and excited states.

23 f atoms between the ground state and various excited states.

24 o-metal, and metal-to-ligand charge-transfer excited states.

25 lating electric field between the ground and excited states.

26 ntify and characterize functionally relevant excited states.

27 ter chromophores to describe reaction center excited states.

28 te, it is antiaromatic in its lowest paipai* excited states.

29 s keto and enol tautomers, in the ground and excited states.

30 that QDs impart stereoselectivity to triplet excited-state [2 + 2] cycloaddition reactions of alkenes

31 atives, likely via the production of triplet excited states ((3)NOM*) and HO(*).

32 being more anisotropic in AB stacking, where excited state absorption related to Exc.

33 er of length 109 mm, as well as a new signal excited-stated absorption (ESA) at signal wavelengths ar

34 gand field splitting allows direct access of excited states aligned along and perpendicular to the IC

35 find that transitions between these multiply-excited states also contribute in the same narrow window

36 An in-depth study of the excited-state also revealed the preferential relaxation

37 re aromatically stable configurations in the excited states, an emerging area that needs attention.

38 I exhibits strong mixing between its singlet excited state and a charge transfer state, yielding an e

39 o the nonradiative decay channel between the excited state and the electronic ground state.

40 (PeT) from a thiolate to Cy in their triplet excited state and then triplet-to-singlet intersystem cr

41 s thermal dissipation of chlorophyll singlet excited states and is called nonphotochemical quenching

42 The multiplicity of the productive excited states and the role of oxygen (O(2)) in the CO p

43 ling) and also provide information about new excited states and their relaxation.

44 st be maintained by stabilizing these highly excited states and, at the same time, the system has to

45 originates from transitions between multiply-excited states, and not from the singly-excited states d

46 und 13.5 nm as those originating from singly-excited states, and this striking property holds over a

47 T(2)) of benzene and cyclobutadiene (CBD) as excited-state antiaromatic and aromatic archetypes, resp

48 Herein, we clarify to what extent relief of excited-state antiaromaticity (ESAA) triggers a fundamen

49 hs; hydrogen bonds that enhance (and reduce) excited-state antiaromaticity in compounds become weaken

50 er inter- or intramolecularly) helps relieve excited-state antiaromaticity.

51 Besides the SOC induced ISC pathway, triplet excited states are also realised in organic chromophores

52 However, energies of high-lying excited states are rarely extracted, in part because the

53 i-aufbau DFT approach for estimating singlet excited state aromaticity suggested in a recent Communic

54 The concepts of excited-state aromaticity and antiaromaticity have in re

55 strategies on how to use Baird's 4n rule on excited-state aromaticity, combined with Huckel's 4n + 2

56 wo-electron transfer process accompanies the excited-state aromatization, producing a Baird aromatic

57 logy requires chromophores with their lowest excited states arranged so that 2E(T(1)) < E(S(1)) and E

58 or the ground state, and often for the first excited state as well.

59 fluorescent due to structural changes in the excited state, as revealed by DFT calculations.

60 led the population of at least one invisible excited state at atmospheric pressure.

61 ion-of-motion counterpart (NEO-EOM-CCSD) for excited states, attain similar accuracy without requirin

62 ast cells (H9c2) significantly decreased the excited-state autofluorescence lifetime of enzyme-bound

63 heir photoreaction due to an increase in the excited state barrier for photorelease.

64 characterize the I fluorescent state and the excited state barrier that hinders direct evolution to t

65 tor moieties dynamically switch roles in the excited state because of an approximately 90 degrees int

66 The first mechanism involves protonation of excited-state benzene and subsequent rearrangement to bi

67 achieving multi-colored emissions from upper excited states by "suppressing" Kasha's rule.

68 ce and lifetime of low-populated short-lived excited states by up to 10-fold.

69 penheimer molecular dynamics, ab initio, and excited-state calculations led to unambiguous assignment

70 s extrapolated to predict the structural and excited state characteristics of the Bi-based analogues,

71 y and cooperatively promote both ground- and excited-state chemical reactivity at all points along th

72 Triplet excited state chemistry has enabled a range of important

73 nanoplatelets, as photocatalysts for triplet excited state chemistry.

74 nes does not contribute significantly to the excited-state chemistry of these molecules.

75 These results demonstrate that using excited-state coherence data may be used to tailor ultra

76 ute these resonances to excitonic ground and excited states confined within the moire potential.

77 or the discovery and characterization of RNA excited state conformations.

78 near-IR sensitizer, azaBODIPY, for promoting excited-state CS.

79 Fs-TA studies were performed to monitor excited state CT events.

80 y transfer is the rate controlling step, (b) excited state cyclization is the rate controlling step,

81 let fission (iSF) process is responsible for excited state deactivation in isoindigo derivatives.

82 The optical properties and excited state deactivation mechanisms of selected compou

83 ient photoreactions by thwarting competitive excited state decay channels.

84 In addition, a third excited-state decay pathway has been identified that is

85 ation of fine-tuned deterministic control of excited-state decay.

86 iply-excited states, and not from the singly-excited states decaying to the ground state as is the cu

87 that the spin of the initially populated FC excited state differs from that of the ground state, eve

88 The excited state differs from the ground state by a change

89 more regular beta strand configuration in an excited-state dimer, as well as exchange of both monomer

90 These dark excitons dominated the excited-state distribution, a surprising finding that hi

91 ctions involving neutral organic radicals as excited-state donors or acceptors.

92 om the formation of a reactive, antiaromatic excited state during the initial photoexcitation, and by

93 en located for simple BODIPY structures from excited state dynamic simulations.

94 consistent with electronic spectroscopic and excited-state dynamical data, further underscoring the d

95 ckness-dependent modulation of the ultrafast excited state dynamics in the 2DP/MoS(2) heterostructure

96 al that the nature of the linker affects the excited state dynamics of the complexes and their DNA ph

97 the photoinduced processes that govern their excited state dynamics.

98 Understanding their excited-state dynamics is essential for identifying suit

99 Design-specific control over excited-state dynamics is necessary for any application

100 ing optoelectronic properties of a material, excited-state dynamics leading to the creation of a pola

101 ce studies provide a detailed picture of the excited-state dynamics of 2.

102 machine learning for excited states include excited-state dynamics simulations, static calculations

103 herence data may be used to tailor ultrafast excited-state dynamics through targeted synthetic design

104 time scales was studied by investigating the excited-state dynamics up to high quencher concentration

105 ption techniques were performed to probe the excited-state dynamics, revealing ultrafast charge separ

106 hate or boron significantly influences their excited-state dynamics, which is observed by the formati

107 elastic torques that are responsible for the excited-state elastic monopoles and may lead to light-po

108 The excited state electron density distributions are thus am

109 reorganization energy of 0.7 +/- 0.1 eV for excited-state electron transfer.

110 These magnetic exchange couplings affect the excited-state electronic structure in a manner that intr

111 s, we also provide a short introduction into excited-state electronic structure methods and approache

112 eraged single ensemble and not from a set of excited states emitting with distinct luminescence decay

113 the bonding, crystal packing as well as the excited state energies and lifetimes was assessed in flu

114 of perturbative expansions of, in our case, excited-state energies perturbed by conformational fluct

115 Here we show how the excited-state energy landscape and thus the coherence ch

116 e energies of the lowest singlet and triplet excited states, enhancing the yield of triplet-triplet a

117 lifetime extension utilizing triplet-triplet excited-state equilibria is detailed.

118 rom upper (S(2) ) and lowest (S(1) ) singlet excited states, even at room temperature in air.

119 energy levels were established to visualize excited state events.

120 Whereas excited-state events on the ps timescale have been struc

121 ctroscopic techniques were used to track the excited-state evolution of the employed iridium photocat

122 y transport via the formation of delocalized excited states (excitons), which are critically sensitiv

123 -metal charge transfer ((2)LMCT) photoactive excited state exhibits donor-dependent charge separation

124 tures are observed to facilitate delocalized excited states for enhanced mixing between charge-transf

125 r the vacuum, and one has to rely instead on excited states, for example a characteristic thermal Hal

126 nitrogen tunneling and the first example of excited-state heavy-atom tunneling.

127 Complexes containing ligand-localized excited states, however, do not exhibit aurophilicity in

128 t chalcogen-bonding cascade switching in the excited state in solution.

129 The nature of the lowest excited state in these complexes changes character from

130 asymmetric torsional potential, and a 'free' excited state in which FliJ undergoes rotational diffusi

131 d determined the nature of the corresponding excited states in a model tetramer i-motif structure.

132 to the dielectric environment of the exciton excited states in a single-layer semiconductor of tungst

133 into the diverse pathways to access triplet excited states in organic chromophores.

134 g the mass difference between the ground and excited states in rhenium, providing a non-destructive,

135 to near-IR emission involving their triplet excited states in the solid state and in PMMA films with

136 s suppress internal conversions of the upper excited states in the solids and make possible the fluor

137 scussed applications of machine learning for excited states include excited-state dynamics simulation

138 lm of ITO nanocrystallites resulted in rapid excited-state injection ( k(inj) > 10(8) s(-1)).

139 Excited-state injection into the ITO by RuP* generated I

140 Excited-state injection often occurs on ultrafast time s

141 Upon excitation to the higher energy paipai* excited state instead of the dipole-forbidden npai* stat

142 (C(60/70)), with the noncovalent ground and excited state interactions that occur upon fullerene gue

143 ng list of molecules that meanwhile have the excited-state intramolecular proton transfer property.

144 Our work was rounded-off by excited state investigations such as electron and energy

145 etones using a variety of Bronsted acids and excited-state Ir(III)-based electron donors.

146 ed with radical formation beyond the initial excited-state Ir(ppy)(3) oxidation.

147 Initiated by an excited-state iridium chromophore, this reaction proceed

148 oss compared to conventional PSII, where the excited state is shared over all of the chlorin pigments

149 The "Franck-Condon" (FC) excited state is the first state created when a molecule

150 ate heterogeneity may not be relevant to the excited-state isomerization reaction.

151 um yield, and energy barriers to ground- and excited-state isomerization, we evaluate the contributio

152 tum-chemical calculations to demonstrate the excited state leading to the formation of the thietane i

153 bles the population of higher-energy doublet excited states, leading to the observed potent photoredu

154 otoexcitation of the anthracene to a locally excited state (LES) is followed by concerted electron tr

155 of 81 ns, and thus must be determined by the excited state lifetime in the nanotrack.

156 tting diode technology and for deterministic excited-state lifetime control to enhance chemical react

157 The initial establishment of excited-state lifetime extension utilizing triplet-tripl

158 l properties also revealed an extremely long excited-state lifetime of 1.2 ms and a high quantum yiel

159 r processes are not limited by the intrinsic excited-state lifetime of the photosensitizer.

160 al environment has limited motion within the excited-state lifetime.

161 asured Purcell factor as a ratio between the excited state lifetimes in bare CBP and in periodic stru

162 The excited state lifetimes inferred from the broadening are

163 Here, we obtain few-femtosecond core-excited state lifetimes of iodine monochloride by using

164 Challenges, in particular the extension of excited state lifetimes, and recent conceptual breakthro

165 ic absorption and nanosecond charge-transfer excited state lifetimes, enabled by the combination of v

166 , the manipulation and control of electronic excited-state lifetimes and properties continue to be a

167 roach, we achieve trapping and optical-clock excited-state lifetimes exceeding 40 seconds in ensemble

168 solved PL measurements reveal an increase in excited-state lifetimes with longer probe wavelengths, f

169 ating reversible redox behaviour and/or long excited-state lifetimes), and they often suffer from low

170 onfirming the importance of the newly formed excited-state manifold in TBPCExBox(4+) for the populati

171 cause the congested density of states in the excited-state manifold leads to rapid deactivation.

172 related with their electronic structures and excited-state natures predicted by density functional th

173 te that the jump from the ground state to an excited state of a superconducting artificial three-leve

174 quantum mechanical (FQM) calculation of the excited state of aggregation-induced-emission (AIE) mate

175 to probe the isomerisation coordinate on the excited state of an isolated model chromophore anion of

176 The nature of the electronic excited state of many symmetric multibranched donor-acce

177 urements to study electron transfer from the excited state of NADH to the oxidized, Rieske-type, [2Fe

178 nges to control the wavepacket motion in the excited state of polynuclear transition-metal complexes.

179 rst, we show that periodically modulating an excited state of rubidium splits its spectral weight to

180 vibronic levels to the ground and a valence excited state of TCNB(-).

181 tudies were conducted and indicated that the excited state of the ensembles, as well as the model com

182 fer involving the lowest-energy ligand-field excited state of the Fe(II)-based photosensitizer, defin

183 The computed excited state of the monogold species exhibited LMCT to

184 terized, sparsely populated room-temperature excited state of the mutant, explaining the coincidence

185 olecular process occurring on the long-lived excited state of the Ni(II) complex.

186 dies allude to a catalytic cycle whereby the excited state of the organophotocatalyst is reductively

187 The singlet excited state of Znby had a short life-time, limited by

188 transfer from HOMO of fluorophore to HOMO of excited states of Al-complex that increases the fluoresc

189 striction efficiently rigidified the triplet excited states of carbon dots from non-radiative deactiv

190 ty to extend the lifetimes of photogenerated excited states of iron complexes is critical.

191 We demonstrate polariton condensation into excited states of linear one-dimensional lattices, perio

192 e platform from which to explore and control excited states of matter, such as topological excitons a

193 ensuing fragmentation of the neutral sigma* excited states of methyl bromide.

194 Electronically excited states of molecules are at the heart of photoche

195 lems when using them in machine learning for excited states of molecules.

196 nsurprising because the lifetimes of doublet excited states of neutral organic radicals are typically

197 eneficial for researchers to achieve triplet excited states of organic chromophores for numerous bioc

198 exploring the pathways to access the triplet excited states of organic chromophores has been a stimul

199 rrelated single-photon counting revealed two excited states of pyrene excimer wherein only one is dir

200 with computational modeling of the emissive excited states of representative examples.

201 The metal-to-ligand charge transfer (MLCT) excited states of Ru polypyridyl compounds serve as the

202 ict how hydrogen bonding could influence the excited states of the GFP-like fluorophores.

203 By relating the populations of excited states of the two peptides to the fibril formati

204 hlorophylls-f/d, and the localization of the excited state on P(720)* points to a smaller (entropic)

205 tral domain, while maintaining a substantial excited-state oxidation potential for wide-ranging photo

206 of a neutral acridine radical with a maximum excited-state oxidation potential of -3.36 volts versus

207 d of electron transfer (ET) from the singlet excited state P* of the primary electron-donor P (a bact

208 mprove the quantum yields of photorelease by excited state participation and blocking ion pair recomb

209 he details of the photodynamics of bR on the excited state, particularly the characterization of the

210 and make possible the fluorescence from S(2) excited states (phosphorescence from T(2) excited states

211 s work provides a substantial advance in the excited-state physical chemistry of luminescent nanoclus

212 to others by dynamically Stark shifting the excited-state potential energy surfaces rather than alig

213 its large polarizability, well-characterized excited-state potential energy surfaces, and nonadiabati

214 to study its mechanism of formation, but the excited-state precursor, the intermediate species, and t

215 increasing the population of this invisible excited state present at atmospheric pressure.

216 Deciphering the complicated excited-state process is critical for the development of

217 essential to achieve a full understanding of excited state processes during ultrafast nonadiabatic ch

218 Control of excited-state processes is crucial to an increasing numb

219 ciency and accuracy for computing ground and excited state properties, respectively.

220 n of charge-transfer states which modify the excited state properties.

221 etical supports to accurately describe their excited state properties.

222 Compared to bulk materials, certain excited-state properties in NCs can be adjusted by elect

223 anic molecules, leading to chromophores with excited-state properties that can be considered an equil

224 ith predetermined photophysical response and excited-state properties.

225 When irradiated with light, excited-state proton transfer (ESPT) occurs from cationi

226 As the Stokes shift is tightly linked to excited-state proton transfer (ESPT) of the protonated c

227 tly suppresses the reactivity of short-lived excited states, provides a means for directly probing th

228 ex can be manipulated using information from excited-state quantum coherences as a guide to implement

229 rophores, photoswitching agents, and triplet excited state quenchers for single-molecule and super-re

230 to attenuate solvent-dependent mechanisms of excited-state quenching through addition of a beta-carbo

231 demonstrated through a 4-8 times decrease in excited state radiative lifetime compared to a bare orga

232 he SLR calculations provide estimates of the excited state radiative line width, which we relate to t

233 that the newly formed isomer appears in the excited state rather than in the ground state.

234 The annihilators have outstanding excited-state reactivities enabling challenging photored

235 thway would encourage the development of new excited-state reactivities in the field of metallaphotoc

236 The catalysis proceeds through two stepwise excited-state redox events-atypical of the currently kno

237 ontrathermodynamic transformations driven by excited-state redox events.

238 The ground- and excited-state redox potentials of the donor and acceptor

239 o achieve a balance between ground-state and excited-state reduction potential of donor acceptor syst

240 psilon = 9800 M(-1) cm(-1), at 450 nm and an excited-state reduction potential, E(Ir(+*/0)) = 1.76 V

241 aryl halides which is attributed to its high excited-state reduction potential.

242 demonstrates that the optical properties and excited state relaxation are highly sensitive at the sin

243 ence decrease dramatically despite mitigated excited state relaxations.

244 l properties since they emit through similar excited states resulting from the presence of the equato

245 Analysis of their excited states reveals that efficient photoinduced charg

246 resolution techniques capable of identifying excited-state signatures and molecular identities of the

247 achine learning is employed to speed up such excited-state simulations but also how this branch of ar

248 ured with protons and that the nature of the excited state (singlet vs triplet) is dependent on aroma

249 owed detection and characterization of three excited state species, in general, and the pCND(*+)-TCAQ

250 oexcitation with visible light to produce an excited-state species with oxidizing power (3.33 V vs. S

251 mediate, interconversion between ground- and excited-state species, and strain.

252 Together with a previous excited-state study, our data allow establishing a detai

253 attices have recently been predicted to host excited states such as moire exciton bands(13-15).

254 vepacket on a triplet metal-centered ((3)MC) excited state surface.

255 fast spectroscopies, we investigate how such excited-state symmetry breaking affects the photochemica

256 Excited-state symmetry breaking is identified by monitor

257 aticity upon excitation to the first triplet excited state (T(1)).

258 has an exceptionally long-lived triplet LMCT excited state (tau = 350 mus), featuring highly efficien

259 This complex was found to have a long-lived excited state (tau = 4 ns), which was computationally as

260 , with an optically forbidden low-lying S(1) excited state that has Ag(-) symmetry and a higher-lying

261 tereomeric ratio varied as a function of the excited state that is generated, to yield mixtures of di

262 ovides an early outer-sphere charge-transfer excited state that reports on solvent polarity.

263 he molecular orbitals that contribute to the excited states that are precursors to CS.

264 stantaneously between coherently interacting excited states that behave as a single quantum entity.

265 of the nature and energy level of low-lying excited states that could be coupled to the bright (1)pa

266 tance of realizing donor singlet and triplet excited states that have opposite electronic polarizatio

267 Long-lived charge-transfer excited states that undergo redox reactions with one or

268 and antiaromatic in the first triplet (T(1)) excited state (the Baird's rule).

269 Full-length MinE samples 2 "excited" states: The first is similar to a full-length/D

270 onalized within the framework of established excited-state theories of molecular crystals.

271 Here, combining excited-state time-domain Raman spectroscopy and tree-te

272 tion proceeds via cyclization in the triplet excited state to yield a 1,4-diradical; intersystem cros

273 ) on electronic relaxation, transitions from excited states to ground states, is well studied, but th

274 Such unexpected slow process of excited-state transformation results in near-infrared du

275 c-scale structural origin of this unexpected excited-state transformation, and demonstrate control ov

276 state energies, frontier orbital characters, excited state transitions, and presence of weak Rh-Rh na

277 transitions from the ground-state singlet to excited-state triplets to gain oscillator strength, enab

278 urs, revealing a potential mechanism for the excited-state turn-on of aurophilic bonding.

279 series of complexes allows for tuning of the excited-state "turn-on" of aurophilicity, where ligand t

280 To gain insights about these excited states, two of our groups previously studied the

281 ctive metal-to-ligand charge transfer (MLCT) excited states typically encountered in these compounds

282 Complexes that have the MLCT lowest excited state undergo a Renner-Teller bending distortion

283 um nanodroplets in the lowest electronically excited states undergo ultrafast relaxation.

284 ral and dynamical information on ground- and excited-state vibrational modes of the different pigment

285 ignature of the non-adiabatic passage of the excited state wavepacket through a conical intersection.

286 rotein (PYP) - leads to a bifurcation of the excited state wavepacket.

287 between ground, charge-transfer, and locally excited states were determined from correlations between

288 ading to low lying (n, pai*) and (pai, pai*) excited states which accelerate k(isc) through El-Sayed'

289 signatures of spatial delocalization of the excited states which are characteristics of dynamics in

290 y the electronic coupling between the lowest excited state, which has charge-transfer (CT) character,

291 ition between the ground state and the first excited state, which recovers rapidly for transitions to

292 showed active inter-state conversions in the excited states, which is characteristics of small molecu

293 he photoreaction took place from the singlet excited state while the Norrish type I reaction proceeds

294 ng benzene's physicochemical behavior in its excited state, while molecular motion, predicted for sev

295 sting an intersystem crossing to the triplet excited state with subsequent phosphorescent decay.

296 ly advantageous, a detailed understanding of excited states with ligand-to-metal charge transfer (LMC

297 heory interrogation of the complexes reveals excited states with significant aurophilic bonding.

298 opment featuring early transition metals and excited states with significant LMCT contributions.

299 using singlet exciton fission, in which two excited states with triplet spin character (triplet exci

300 e photodissociation of ICN in the (1) Pai(1) excited state, with emphasis on the transient response i