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1 n be interpreted as a return to the low-spin singlet.
2 ature, after reverse intersystem crossing to singlets.
3 rene spontaneously rearranges in the dark to singlet 6-imino-2,4-cyclohexadien-1-ketene on the time s
4 the energy gap between triplets and "bright" singlets, allowing thermal population exchange between t
7 athway is governed by the energy gap between singlet and charge-transfer states, which change dynamic
8 component triplets behave cooperatively as a singlet and emit light through a Herzberg-Teller-type me
9 by the SABRE-SHEATH method, sustaining both singlet and magnetization states, thus offering a path t
10 eDef-RuPZn manifests electronically excited singlet and triplet charge-transfer state lifetimes more
12 s of +1.57 and +0.86 V are estimated for the singlet and triplet dsigma*psigma excited states, respec
17 igurations describing the initially prepared singlet and triplet excited-state wave functions, we (i)
18 eduction (+0.6 V vs Ag/AgCl) potentials, and singlet and triplet oxidation potentials (-1.1 and -0.5
21 ty and dynamics of the excited states, where singlet and triplet Rh2/form-to-naphthyridine, metal/lig
23 molecules, where spin-orbit coupling between singlet and triplet states is mediated by one of the loc
25 We form a logical qubit encoded in the spin singlet and triplet states of the two-electron system.
29 ctly recovers the sample identity of >99% of singlets and identifies doublets at rates consistent wit
30 Ps) per cell are sufficient to assign 97% of singlets and identify 92% of doublets in pools of up to
31 ty of each droplet containing a single cell (singlet) and detect droplets containing two cells (doubl
32 h a T1/2 of 220 K and a mixture of low-spin (singlet) and high-spin (quintet) populations at room tem
37 he dication is readily reduced to a neutral, singlet bis-1,4-([3]cumulene)-p-carboquinoid as a result
38 Here, we show that excitations related to singlet breaking on nearest-neighbour bonds describe the
43 which reveal that a 1,2-phenyl shift in the singlet carbene needs to overcome a barrier of only 3.8
45 -stabilized borylenes are isoelectronic with singlet carbenes, and their reactivity mimics to some ex
46 hinidene reacts with carbon monoxide, stable singlet carbenes, including the poor pi-accepting imidaz
50 in a switching of the spin state of DPC, the singlet complexes becoming more stable than the triplet
51 VTZ//B3LYP/6-31+G* level of theory show that singlet cyclopentylidenecarbene has to overcome a barrie
53 tudies yield data that are consistent with a singlet diradical ground state with a thermally accessib
54 s pulse duration and 1.37 ps separation; and singlet+doublet soliton structures with 1.8 ps duration
55 f this [2 + 2] cycloaddition reaction is the singlet doubly pi(2)pi*(2) excited state, which is spect
56 )Z results on the evolution of the low-lying singlet electronic states along the OO bond suggest that
57 e spin prohibition of the underlying triplet-singlet emission and because its analysis embraces a dee
59 sed to establish the character of the lowest singlet excited state of all three systems and the lowes
60 at at high surface concentrations, the first singlet excited state of the dye is converted into a new
61 ion is higher than that required to form the singlet excited state, the S-route is considered the fav
63 riplet states (T1), and the first and second singlet excited states (S1 and S2) of benzene (C6H6) and
65 The fluorescence spectra indicate that the singlet excited states of these nanorings are highly del
66 The absorption of a photon usually creates a singlet exciton (S1) in molecular systems, but in some c
67 ton fission (SF), the conversion of one spin-singlet exciton (S1) into two spin-triplet excitons (T1)
68 assemblies results in the conversion of one singlet exciton (S1) into two triplet excitons (T1), pro
73 range of organic semiconductors that undergo singlet exciton fission to reveal the photophysical prop
75 ion is the spin-allowed conversion of a spin-singlet exciton into a pair of spin-triplet excitons res
77 anism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet exciton
78 ular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produc
86 ablish the role of charge-transfer states in singlet fission and highlight the importance of solubili
87 esults provide a framework for understanding singlet fission and show how the formation of vibronic m
88 ke conjugated dimers, the time constants for singlet fission are relatively insensitive to the interp
89 nd crystalline structure in films of a model singlet fission chromophore, 6,13-bis(triisopropylsilyle
91 paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-con
92 We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a vir
94 dence of triplet exciton diffusion following singlet fission in these nanocrystalline TIPS-Pn films.
98 The coexistence of coherent and incoherent singlet fission may also reconcile different experimenta
99 n to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that ca
103 on of excitons in organic semiconductors via singlet fission offers the potential for photovoltaic ce
107 We observe the key intermediates in the singlet fission process, including the formation and dec
110 rovide evidence in crystalline rubrene for a singlet fission step that, until now, has not been convi
111 edict a 2 orders of magnitude faster rate of singlet fission to the (1)(T1T1) state in BET-B relative
112 shown that the triplet diffusion length and singlet fission yield can be simultaneously optimized fo
114 that charge-transfer states are involved in singlet fission, but their role has remained an intrigui
115 ate (TT), which has been proposed to mediate singlet fission, forms on ultrafast timescales (in 300 f
116 te and study transient species essential for singlet fission, which are otherwise difficult to observ
123 be 0.05 wt % 1,4-bis(2-methylstyryl)benzene singlet fluorophore and 0.28 wt % Ir(3+), respectively.
125 (IV) enolates) and an open shell, biradical, singlet (formally Ti(III) enolates) electronic states, w
126 la: see text] of the iron orbitals to make a singlet ([Formula: see text]), an [Formula: see text] su
128 lin isotype TBA-6 sculpts 18 A- and B-tubule singlets from nine ciliary A-B doublet microtubules in c
129 3S(O)N was generated in the gas phase in its singlet ground state and was characterized by matrix-iso
130 as the absence of EPR signals demonstrate a singlet ground state of the zwitterion, and its calculat
131 ron spectrum indicating that the anion has a singlet ground state, in contrast to previously reported
132 nyl oxenium ions (Ph-O(+)) have closed-shell singlet ground states with large singlet-triplet gaps re
134 nitrenium ion and 1-azulenyl oxenium ion are singlet ground-state species with considerable singlet-t
135 res (>10 K), the triplet is converted to the singlet; however, cooling back to 3 K does not restore t
136 omaticity, with the switch from ground-state singlet ions to triplet-favored ions resulting from both
137 ei and store this polarization in long-lived singlet (LLS) form after suitable radiofrequency (rf) pu
138 esigns in which the kISC magnitude dominates singlet manifold relaxation dynamics but does not give r
141 s variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupat
142 o ultrafast nonradiative relaxation from the singlet metal-to-ligand charge transfer ((1)MLCT) excite
144 species such as hydrogen peroxide (H2O2) or singlet molecular oxygen, rather than free-radical speci
146 nitrenes are derived from the corresponding singlet nitrene, either directly or via thermal repopula
147 ibrium, dynamics originating from either the singlet or quintet manifold can be explored using variab
148 ation after direct light excitation involves singlet or triplet states is investigated here for the f
150 rrier is developed for efficiently producing singlet oxygen ((1) O2 ) and inducing hypoxia to promote
151 be activated by photoirradiation, producing singlet oxygen ((1) O2 ) and inducing hypoxia to promote
152 A biocompatible fluorescent nanoprobe for singlet oxygen ((1) O2 ) detection in biological systems
153 s been developed that enables tumor-specific singlet oxygen ((1) O2 ) generation for cancer therapy,
154 photosensitizer that specifically generates singlet oxygen ((1) O2 ) in mitochondria under white lig
155 hat can reversibly control the generation of singlet oxygen ((1) O2 ) is of great interest for photod
157 , with two representatives exhibiting strong singlet oxygen ((1) O2 ) quenching (HCP2, HCP3) and anot
158 ophage MS2 to UV254, simulated sunlight, and singlet oxygen ((1)O2) and analyzed the oligomer reactio
159 onic nanostructure platform with a source of singlet oxygen ((1)O2) at a well-defined distance from t
161 Distinct ROS signaling pathways initiated by singlet oxygen ((1)O2) or superoxide and hydrogen peroxi
162 eparation, and characterization of a dormant singlet oxygen ((1)O2) photosensitizer that is activated
163 ype of particle, Rose Bengal as an efficient singlet oxygen ((1)O2) producer was covalently bound to
164 g to significantly enhanced fluorescence and singlet oxygen ((1)O2) production upon laser irradiation
166 tates of dissolved organic matter ((3)DOM*), singlet oxygen ((1)O2), and the hydroxyl radical ((*)OH)
167 riplet dissolved organic matter ((3)DOM) and singlet oxygen ((1)O2), contributes to the degradation o
168 bance and fluorescence) and the formation of singlet oxygen ((1)O2), DOM triplet excited states ((3)D
169 triplet states by molecular oxygen produces singlet oxygen ((1)O2), which reacts with the anthracene
173 les us to draw conclusions about the role of singlet oxygen and (1)O2 carriers in photodynamic therap
174 identified by proximity-based labeling using singlet oxygen and by an adapted version of TRICEPS-base
178 The PapaMBlue produced higher amounts of singlet oxygen and hydroxyl radicals than free MB, possi
179 m of this cross-linking, which involves both singlet oxygen and radical generation, can occur very ef
181 ase of nitric oxide (NO) in combination with singlet oxygen and superoxide radicals (O2(*-)) as react
182 y, acute water stress showed accumulation of singlet oxygen as determined by fluorescence of Singlet
185 shows significantly enhanced absorption and singlet oxygen efficiency relative to that of the accept
190 The nanosystem also inhibits extracellular singlet oxygen generation by Ce6, leading to fewer side
191 tersystem crossing to the triplet state, and singlet oxygen generation, as assayed by transient absor
194 eling, photooxidation of a ligand-conjugated singlet oxygen generator is coupled to chemical labeling
197 TP can also efficiently function to generate singlet oxygen in situ (PhiDelta approximately 20 %) and
198 tection against photooxidative stress due to singlet oxygen is provided by carotenoid molecules, whic
205 s for cancer treatment should both have good singlet oxygen production capability and be excitable by
206 centration, tissue oxygen concentration, and singlet oxygen production in real-time may allow for ada
207 ed excitation profile and exceptionally high singlet oxygen production under both visible light and i
208 n moiety are also conserved, with comparable singlet oxygen quantum yields found to the free chlorin.
212 h by acute water stress was inhibited by the singlet oxygen scavenger histidine and was accompanied b
214 nteract with reactive oxygen species through singlet oxygen scavenging, electron transfer, hydrogen a
217 glet oxygen as determined by fluorescence of Singlet Oxygen Sensor Green, by electron paramagnetic re
219 e first PTX prodrug that can be activated by singlet oxygen using tissue penetrable and clinically us
220 cient photosensitizers for the generation of singlet oxygen via photoinduced energy transfer processe
224 ntribution of reactive oxygen species (e.g., singlet oxygen, (1)O2) in dissolved organic matter-sensi
226 ovides an assessment of the contributions of singlet oxygen, hydroxyl radical, hydrogen peroxide, and
227 properties, to the ability to photogenerate singlet oxygen, or to act as photoacoustic imaging agent
228 ygen species (ROS) to be released, including singlet oxygen, superoxide anion radicals, and hydrogen
240 VB) formed by a superposition of fluctuating singlet pairs have been a paradigmatic concept in unders
241 idene transfer to olefins is consistent with singlet phosphinidene reactivity by analogy with the Ske
246 ion to alpha-ketodiazirine proceeds from the singlet S1 state, whereas the alternative process of C-H
247 ultiplet soliton state evolves into a stable singlet soliton state, are depicted.Real-time characteri
248 change in mechanism occurs for the dominant singlet spin state that correlates with the electron-don
249 (-*)-R(*) triradical, where D(+*)-A(-*) is a singlet spin-correlated radical pair (SCRP), in which bo
250 ored ions resulting from both a destabilized singlet state (Huckel antiaromatic) and a stabilized tri
252 the same progression from an initial bright singlet state (species I) to a delocalized dark state (s
253 Self-testing was first demonstrated for the singlet state and a few other examples of self-testable
254 dition is a rare reaction that begins in the singlet state and proceeds through a triplet intermediat
255 ts energetic proximity to the lowest excited singlet state in these derivatives suggests that this st
257 ors CF3X form very strong complexes with the singlet state of DPC, but only weakly interact with trip
258 d by p-ExBox(4+) (7.0 A), the lowest excited singlet state of ExV(2+) exclusively photo-oxidizes the
260 transfer rate from the ZnTPP lowest excited singlet state to PDI2 is increased by 50% relative to th
262 ef they form an s-wave ([Formula: see text]) singlet state, which changes sign between the electron a
271 lt of a progression from a direct product of singlet states in each short dimer at zero field to pref
273 s can be generated in both their triplet and singlet states, and both states coexist under the condit
274 unt the kinetic barrier to reactions between singlet substrates and triplet O2 is unclear, but the re
277 Irradiation at 365 nm results in a complete singlet to triplet interconversion, whereas 450 nm irrad
279 occurs preferentially through an open-shell singlet transition state: iron donates electron density
282 that molecular geometries exist at which the singlet-triplet energy gap (exchange energy) is close to
283 used to determine substituent effects on the singlet-triplet energy gap for azulenyl nitrenium and ox
284 e introduce a general approach to reduce the singlet-triplet energy gap in fully conjugated polymers,
285 iplet diradical with a very small open-shell singlet-triplet energy gap that is indicative of the ele
288 nt the first room-temperature measurement of singlet-triplet equilibration dynamics in this family of
289 xenium ion have triplet ground states with a singlet-triplet gap of +7 and +10 kcal/mol, respectively
290 general phenomenon that only depends on the singlet-triplet gap rather than on the nature of the car
292 nglet ground-state species with considerable singlet-triplet gaps of -47 and -45 kcal/mol to the lowe
293 losed-shell singlet ground states with large singlet-triplet gaps resulting from a strong break in th
294 ide (H2O2) ROS products, indicating coherent singlet-triplet mixing at the point of ROS formation.
295 tions, two-plasmon spontaneous emission, and singlet-triplet phosphorescence processes--can occur on
297 ics, and the excess line broadening of (19)F singlets was utilized to characterize the boronic acid/b
298 nhomogeneity, generating an extremely narrow singlet with a linewidth approaching limits dictated by
300 rminal form of this complex is an open-shell singlet, with two antiferromagnetically coupled electron
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