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1 on from a Zhang-Rice triplet to a Zhang-Rice singlet.
2 epitopes than intact proviruses observed as singlets.
3 smaller in pregnant vs. non-pregnant women (singlets: -0.01 +/- 0.01 s vs. -0.04 +/- 0.04 s, P < 0.0
4 rchetypal many-body states of the Zhang-Rice singlet(10,11), and reaches a coherent state assisted by
6 pectroscopic evidence for ylide formation by singlet alpha-carbonyl carbene capture in aprotic nucleo
7 ran) and report an enol-mediated pathway for singlet alpha-carbonyl carbene reaction with alcohols (e
8 ntial energy surface for the reaction of the singlet alpha-carbonyl carbene with methanol shows that
10 erature-dependent interplay between emissive singlet and triplet charge-transfer states and amide-loc
11 cause it targets a linear combination of the singlet and triplet configurations involving the HOMO an
15 pinpoints the importance of realizing donor singlet and triplet excited states that have opposite el
16 velengths as well as their small gap between singlet and triplet excited states to reduce energy loss
17 y tailor the relative energies of the lowest singlet and triplet excited states, enhancing the yield
20 rge yield as a function of driving force for singlet and triplet excitons, including inverted regimes
21 /- 0.01) mT (hole); the separation rates for singlet and triplet polaron pairs: k(S,s) = (44.59 +/- 0
22 a small energy separation between the lowest singlet and triplet states (Delta E(S(1)-T(1)) = 500 cm(
23 and whose excitons interconvert between the singlet and triplet states ~36 times during one lifetime
26 te of conversion of a singlet exciton into a singlet biexciton (triplet pair), using a simplified ver
28 opentanediyl isomer represents an open-shell singlet biradical with interesting photochemical propert
29 tween multiple triplet excitons and emissive singlets by monitoring time-dependent fluorescence quenc
30 py is used to show competitive production of singlet carbene and ketene intermediates from the photoe
33 iaminal carbenoids leads to the formation of singlet carbenes followed by their trapping via an intra
35 fluorescence emanating from the higher-lying singlet configuration with significant LMCT contribution
36 inescence studies reveal that the triplet-to-singlet conversion in exciplexes involves an artificiall
38 an AA9 LPMO with H(2)O(2) at higher pHs is a singlet Cu(II)-tyrosyl radical species, which is inactiv
39 mputations give the total ring strain of the singlet cyclobutyne to be 101 kcal/mol, with an in-plane
43 intermediate hydrogen-bonded complex between singlet diphenylcarbene and a protic solvent molecule, t
44 featuring two antiferromagnetically coupled singlet diradical diamine type ligands are described.
45 proton transfer involves the formation of a singlet diradical ground state, which requires multirefe
46 well-defined inexpensive and easy to prepare singlet diradical Ni(II)-catalysts featuring two antifer
47 n ABA(2+) and dianion ABA(2-) are open-shell singlet diradicaloids, while the longer dication ANA-TFA
48 o singlet fission solar cells by suppressing singlet dissociation at optimal driving forces for tripl
49 lations, support assignment of an open-shell singlet electronic structure that maintains a formal Fe(
50 has been previously demonstrated that stable singlet electrophilic carbenes can behave as metal surro
52 riplet pair also allow dimers to form on the singlet energy surface, creating an unwanted energy rela
53 s of our work indicate successful triplet-to-singlet energy transfer and a sizable increase in the tr
54 ities-triplet pentadiynylidene (HCCCCCH) and singlet ethynylcyclopropenylidene (c-C(5)H(2)) carbene-v
55 intersystem crossing (RISC) from triplet to singlet exciplex diminishes, a pronounced isotope effect
56 tyl-tpPDI exhibits strong mixing between its singlet excited state and a charge transfer state, yield
57 mple anti-aufbau DFT approach for estimating singlet excited state aromaticity suggested in a recent
59 90% yield of electron transfer (ET) from the singlet excited state P* of the primary electron-donor P
60 d that the photoreaction took place from the singlet excited state while the Norrish type I reaction
63 ponent is thermal dissipation of chlorophyll singlet excited states and is called nonphotochemical qu
64 hases, from upper (S(2) ) and lowest (S(1) ) singlet excited states, even at room temperature in air.
66 ion in facilitating efficient intramolecular singlet exciton fission (iSEF) in pai-bridged pentacene
67 incorporated materials, exemplified here by singlet exciton fission followed by separation into weak
68 iplet excitons at the cost of one photon via singlet exciton fission in organic semiconductors can po
70 133 per cent, establishing the potential of singlet exciton fission to increase the efficiencies of
71 by sensitizing the silicon solar cell using singlet exciton fission, in which two excited states wit
72 locally maximize the rate of conversion of a singlet exciton into a singlet biexciton (triplet pair),
73 Singlet fission, the process of splitting a singlet exciton into two triplet excitons, has been prop
74 nic molecules in which a photogenerated spin-singlet exciton is rapidly and efficiently converted to
76 t fission in organic semiconductors causes a singlet exciton to decay into a pair of triplet excitons
78 ess of forming two triplet excitons from one singlet exciton, is a characteristic reserved for only a
82 and holes) that can later recombine to form singlet excitons during the phosphorescence spectrum mea
83 les that undergo singlet fission, converting singlet excitons into pairs of triplet excitons, have po
84 ng-range incoherent transport of delocalized singlet excitons on pico- to nanosecond time scales in s
86 nal IC pathway, an unexpected intramolecular singlet fission (iSF) process is responsible for excited
88 spectroscopy are applied to rationalize how singlet fission (SF) is affected by systematic chemical
89 teractions and, in turn, on the key steps in singlet fission (SF), that is, the (1)(S(1)S(0))-to-(1)(
92 perylene oligomers that undergo endothermic singlet fission and have endothermicities in the range 5
94 t-pair state acts as an intermediate in both singlet fission and triplet-triplet annihilation and tha
98 a geometric model for the identification of singlet fission chromophores, and we explore what factor
99 e full 108-atom molecular movie of ultrafast singlet fission in a pentacene dimer, explicitly treatin
104 d chromophores needed to undergo endothermic singlet fission is three, which provides sufficient stat
111 r, there has been no demonstration of such a singlet fission photon multiplication (SF-PM) process in
113 of the most promising methods to harness the singlet fission process is via the efficient extraction
115 this promise has not been fulfilled because singlet fission produces two low-energy triplet excitons
118 rs can thus provide a strategic advantage to singlet fission solar cells by suppressing singlet disso
127 inear processes in organic materials such as singlet-fission and triplet-triplet annihilation could i
128 We analyze correlated-triplet-pair (TT) singlet-fission intermediates toward two-triplet separat
129 wo new insights: (a) the canonical tetracene singlet-fission unit cell supports precisely three low-l
131 nge-split energy gaps of J and 3J separate a singlet from a triplet and a singlet from a quintet, res
133 -)-centered diradical is predicted to have a singlet ground state by theory and variable temperature
134 CASSCF calculations reveal a closed-shell singlet ground state for 4 with a considerable diradical
135 irst known high temperature realization of a singlet ground state magnet, in which magnetism occurs t
136 hat cyclobutyne is a transition state in its singlet ground state, based on new coupled cluster and m
138 ormation is the fact that it proceeds on the singlet hypersurface and that no triplet intermediates a
140 structures that block access to unproductive singlet internal conversion conical intersections, which
141 ir triplet excited state and then triplet-to-singlet intersystem crossing in the nascent geminate rad
142 multiband superconductors with dominant spin singlet, intraband pairing of spin-1/2 electrons can und
146 several orders of magnitude shorter than the singlet lifetimes of known transition-metal photoredox c
147 5) N T(1) times of up to (4.6+/-0.4) min and singlet lifetimes T(s) of up to (17.5+/-3.8) min are obs
148 nt inter-system crossing between triplet and singlet manifolds, indicating that optically-addressable
149 tural differences between the C(s)-symmetric singlet (omega(flap) = +/-44 deg) and C(2v)-symmetric tr
151 de a (Ppa) could be controllably released by singlet oxygen ((1) O(2) ) generated by light irradiatio
152 ptides nanolayer converts the H(2) O(2) into singlet oxygen ((1) O(2) ) in a sustained manner for neu
153 (fc2) that conditionally accumulates the ROS singlet oxygen ((1) O(2) ) leading to chloroplast degrad
154 (SPNpd) that not only efficiently generates singlet oxygen ((1) O(2) ) under NIR photoirradiation bu
155 pro-nanoenzyme not only generates cytotoxic singlet oxygen ((1)O(2)) for photodynamic therapy (PDT),
158 mic substance isolates and whole waters with singlet oxygen ((1)O(2)) phosphorescence and determined
161 tates of dissolved organic matter ((3)DOM*), singlet oxygen ((1)O(2)), and hydroxyl radicals ((*)OH),
164 udies, they seem susceptible to oxidation by singlet oxygen ((1)O(2)); therefore, we designed and syn
165 (catalase), hydroxyl radicals (mannitol) and singlet oxygen (sodium azide) and carbon-centered radica
167 ctions between the photosensitizer-generated singlet oxygen and substrate molecules remain elusive at
168 eration of reactive oxygen species including singlet oxygen and superoxide ion through both type 1 an
170 phospho-(1'-rac-glycerol) (POPG) mediated by singlet oxygen at the air-water interface of levitated w
171 se reactions are likely hydroxyl radical and singlet oxygen based on the use of selective quenchers.
176 ong triplet lifetime ensures high-efficiency singlet oxygen evolution according to homogeneous photo-
177 h were tested for their ability to sensitize singlet oxygen formation, were found to do so efficientl
179 bystander effect-like spreading of secondary singlet oxygen generation and catalase inactivation with
181 hancement, as well as a 1.9-fold increase in singlet oxygen generation efficiency over free rose beng
182 restoration of the fluorescence emission and singlet oxygen generation upon removal of the DNBS group
183 avor triplet-state formation as required for singlet oxygen generation, iodine substituents were intr
184 s-A(2)B(2) porphyrins showed decent in vitro singlet oxygen generation, which was supported by the in
185 d with antibodies, and then reacted with the singlet oxygen in the presence of specific antigens and
188 esponse of tumor cells to generate secondary singlet oxygen is the essential motor for their self-des
189 ism called singlet oxygen priming (SOP), the singlet oxygen leads to hydroperoxides then to peroxyl r
193 The total quenching rate constant (k(T)) of singlet oxygen of the alkene surfactant was measured to
195 e design of highly effective sensitizers for singlet oxygen on one hand and the realization of materi
196 andwich-format immunoassay, the PPs produced singlet oxygen once sensitized by 680 nm diode lasers, a
197 y photo-oxidize DNA without the mediation of singlet oxygen or other reactive oxygen species, phototo
203 article size, morphology, surface charge and singlet oxygen production during ultrasound exposure.
204 ight irradiation, Ti-TBP not only sensitizes singlet oxygen production, but also transfers electrons
207 Mg(II) porphyrazines (MgPzs) having similar singlet oxygen quantum yields and side groups with diffe
208 ulfur quantum dots ("lumidots") show similar singlet oxygen quenching rate constants, based on the mo
209 However, the latter serves as an effective singlet oxygen sensitizer, as demonstrated in the prefer
210 s, upon the laser irradiation, the generated singlet oxygen species are consumed by WONPs, in turn le
214 The ability of phenalenones to generate singlet oxygen was then harnessed in three photooxygenat
215 t illumination, the photosensitizer produces singlet oxygen which oxidizes phenolic compounds present
217 Ph)(10)] is indeed a very strong quencher of singlet oxygen with total rate constants for (1)O(2) rem
219 n kinetics and localized oxidation caused by singlet oxygen, (1)O(2), a major photochemically derived
220 for physical and chemical studies involving singlet oxygen, single-walled carbon nanotubes, and othe
221 s various reactive oxygen species, including singlet oxygen, superoxide anion, hydrogen peroxide, and
224 rug based on combretastatin A-4 (CA4) with a singlet oxygen-cleavable aminoacrylate linker, and a bio
225 cancerous tissue and design pH-controllable singlet oxygen-generating boron-dipyrromethene (BODIPY)
227 rs, the environmental half-life of DA due to singlet oxygen-induced transformations is between 5 and
228 Development of a visible light-induced and singlet oxygen-mediated green protocol has been accompli
229 al motor for their self-destruction, after a singlet oxygen-mediated triggering process by CAP or PAM
235 ysical properties, such as quantum yields of singlet-oxygen formation, decomposition, and fluorescenc
236 class of photoactive material for efficient singlet-oxygen generation with potential photodynamic th
237 idone-tetraphenylethylene (DPPTPE) with high singlet-oxygen-generation ability both in dichloromethan
238 vity based on ELISA studies, indicating that singlet oxygenation could be an important natural detoxi
240 iled product studies revealed that the major singlet oxygenation reaction pathways were the [2 + 2] c
241 ng is much less understood than that of spin-singlet pairing explained by the Bardeen-Cooper-Schrieff
242 resonating valence bonds to Kondo-entangled singlet pairs at the QCP, causes a jump in the Fermi sur
245 n statistics, the injected charges form spin-singlet (S(1)) excitons and spin-triplet (T(1)) excitons
248 tra of all untreated cheeses showed only one singlet signal with a g-factor of 2.0064 +/- 0.0005.
249 in which charges are generated through rapid singlet-singlet annihilation and show lifetimes of sever
250 int toward the importance of controlling the singlet-singlet annihilation step in order to increase t
251 1,3-cyclobutanediyls as stable closed-shell singlet species from the reversible reactions of cyclotr
252 regarded as a rather unreactive closed-shell singlet species with one localized N=P and one C=P doubl
255 g-lived dipole-bound resonances built on the singlet state below the detachment threshold is discusse
260 -(13) C]pyruvate in addition to a long-lived singlet state in the [1,2-(13) C(2) ] form are readily c
261 e-light microscopy and discover a low-energy singlet state sparsely distributed throughout the microc
262 bidden horizontal transition from an excited singlet state to a higher vibrational level of the isoen
263 rules that connect the doubly excited, spin-singlet state to the manifold of quintet states and comm
265 , the generation of two triplets from a lone singlet state-has recently resurfaced as a promising pro
268 On the contrary, excitation to higher-lying singlet states (S(n), n > 1) drives the reaction toward
270 ndly, introduced is a bimolecular switch for singlet states based on 3-(2) H-coumarin containing an i
271 iazirines to support hyperpolarized (1) H(2) singlet states in CH(2) groups of chiral molecules.
272 emonstrate the involvement of higher excited singlet states in the photochemistry of diazoalkanes.
273 econd-timescale kinetics of these low-energy singlet states matches that of the correlated triplet-pa
274 at efficiently convert triplet excitons into singlets through reverse intersystem crossing (RISC) riv
275 forbidden transitions from the ground-state singlet to excited-state triplets to gain oscillator str
279 recedented high-spin (triplet) ground state, singlet triplet energy gap, DeltaE(ST) = 0.3 kcal mol(-1
280 ging technologies, but typically exhibit low singlet triplet energy gaps and possess limited thermal
282 311G(d) theoretical model, indicated a large singlet-triplet energy gap (DeltaE(S-T) = -45 kcal/mol),
283 relationship between triplet aromaticity and singlet-triplet energy gap, confirming this novel strate
284 riplet ground state diradical 2 with a large singlet-triplet energy gap, Delta E(ST) >= 1.7 kcal mol(
285 d spin-orbit coupling(9-11) or tuning of the singlet-triplet energy splitting(12,13) via molecular de
286 eir optical and electronic properties, small singlet-triplet energy splitting, narrow emission line w
288 esponses up to 1100 nm and almost degenerate singlet-triplet ground states with weak antiferromagneti
290 Here we propose a module consisting of spin singlet-triplet qubits and single microwave photons.
291 Here, we explore an important resource for singlet-triplet qubits: a transverse sweet spot (TSS) th
295 g in the proximal position with F shifts the singlet-triplet splitting by +4.5 +/- 0.4 kcal mol(-1) f
296 well as harmonic vibrational frequencies and singlet-triplet splittings are computed using the benchm
297 ed triplet-pair state, which we attribute to singlet/triplet-pair interconversion at these sites.
298 ns and that the nature of the excited state (singlet vs triplet) is dependent on aromatic substitutio