ライフサイエンスコーパス: electronic coupling

1 nsity and mobility-based MC components (pi-d electronic coupling).

2 effect in the strength of the intermolecular electronic coupling.

3 nergy and is not significantly influenced by electronic coupling.

4 ical macrocyclic architectures, reducing the electronic coupling.

5 ngle-laser-shot, providing real-time maps of electronic coupling.

6 at most effectively gates the donor-acceptor electronic coupling.

7 y to the set of conformers with the stronger electronic coupling.

8 romophores and the associated degrees of D-A electronic coupling.

9 gly supports a through-bond model of Ru-heme electronic coupling.

10 ctra of the component parts, indicating weak electronic coupling.

11 entation of the heme yields a maximum in the electronic coupling.

12 h can be harnessed for strong intermolecular electronic coupling.

13 e of orbitals that mediate the long distance electronic coupling.

14 ver a free chromophore, signifying increased electronic coupling.

15 hen used to explore solvation structures and electronic couplings.

16 g state in the charge-shift reaction at weak electronic couplings.

17 the vibrational modulation of intermolecular electronic couplings.

18 pi-orbital contributions to the exchange and electronic couplings.

19 e groups and lead to improved intermolecular electronic couplings.

20 bservations, which allows us to estimate the electronic coupling (330 cm(-1)) and reorganization (807

21 stable mixed-valence dimer with considerable electronic coupling across the hydrogen bond.

22 This result is explained in terms of weak electronic coupling across the noncovalent molecule/elec

23 cial importance of conformational effects on electronic coupling, all the way to systems where confor

24 second time scale, thus modulating the pi-pi electronic coupling along the base pair sequence.

25 not detrimental to transport, as the reduced electronic coupling along the chain is more than compens

26 een heme redox potential and the strength of electronic coupling along the wire: thermodynamically up

27 The alpha-phase crystals with electronic couplings along two dimensions show a maximum

28 determined in part by precise control of the electronic coupling among the chromophores, donors, and

29 te of the system within 1 ns, showing strong electronic coupling among the excited electron donor, ho

30 the chromophore assemblies and enhanced the electronic coupling among the molecules.

31 Moreover, the electronic coupling among the stilbenoid and pi-prismand

32 Moreover, the electronic coupling among the triphenylethylene moieties

33 nstrate using hexaalkoxytriptycenes that the electronic coupling amongst the chromophores is switched

34 es containing polyaromatic chromophores, the electronic coupling amongst the chromophores was observe

35 Depending on the strength of electronic coupling, an electron or a hole is either con

36 the tyrosine dimer in RNR results in strong electronic coupling and adiabatic PCET.

37 tility in determining estimates for both the electronic coupling and average distance between the lac

38 electron transfer by increasing the rate of electronic coupling and contributes to the binding energ

39 In this paper, we present analysis of the electronic coupling and electron transfer pathway betwee

40 to the distance dependence of donor-acceptor electronic coupling and electron transfer rate constants

41 e Raman-based spectroscopic marker of strong electronic coupling and fast T-TET that has been observe

42 The strong electronic coupling and favorable energy level alignment

43 Electronic coupling and ground-state charge transfer at

44 A) in the DC1 complex drastically decreases electronic coupling and makes this complex much less fav

45 80 < HDA < 540 cm(-1) consistent with strong electronic coupling and slow solvent dynamics.

46 sis of a good linear correlation between the electronic coupling and the cosine of the angle between

47 d structures should enhance interchromophore electronic coupling and thus favor singlet exciton fissi

48 he distance dependence of the donor-acceptor electronic coupling and transfer rates.

49 II+/II+) monolayer system result in a larger electronic coupling and/or smaller reorganization energy

50 in stacking, which generally leads to higher electronic couplings and binding energy between neighbor

51 akes it possible to experimentally determine electronic couplings and compare them with computational

52 ents the first direct comparison of exchange/electronic couplings and distance attenuation parameters

53 Interchromophore electronic couplings and interactions between pigments a

54 tals over the substituents recovering strong electronic couplings and lowering reorganization energie

55 with a theoretical analysis of the relevant electronic couplings and rates.

56 ll-defined pi-stacking direction with strong electronic couplings and short intermolecular distances

57 The electronic couplings and the rates of exciton dissociati

58 e component and suggest a mechanism by which electronic coupling (and therefore electron transfer/tra

59 size, monomer oscillator strength, extent of electronic coupling, and aggregate geometry are all impo

60 eatments engineer the interparticle spacing, electronic coupling, and doping while passivating electr

61 ons demonstrate the concept of enhancing the electronic coupling, and hence the stability, by explori

62 g motif of the NWs for strong intermolecular electronic coupling, and thus a NW-based organic field-e

63 res, can substantially reduce intermolecular electronic couplings, and decrease the charge mobility o

64 , where molecular organization and efficient electronic coupling are desired.

65 on on main-chain conformations, packing, and electronic couplings are examined.

66 The UPS electronic couplings are found to be somewhat smaller th

67 ons within contact F-Q pairs, which gate the electronic coupling, are suggested to be the limiting dy

68 xhibits the same reorganizational energy and electronic coupling as do the ET reactions of the dithio

69 al structures, we evaluate both exchange and electronic couplings as a function of bridge length for

70 es not alter the reorganizational energy and electronic coupling associated with ET from TTQ to amicy

71 The electronic coupling associated with the ET reaction is d

72 In particular, the strong electronic coupling at the graphene/g-C(3)N(4) interface

73 trolling both the physical structure and the electronic coupling at the interface.

74 ally strained morphology is found to improve electronic coupling between active sites and current col

75 lar anthracene-containing metallacycles, the electronic coupling between adjacent ligands was relativ

76 antum Chemical study of the solvent-mediated electronic coupling between an electron donor and accept

77 ve electrode surface area, and (ii) improved electronic coupling between CaH2ase redox-active sites a

78 lo-ornithine 4,5-aminomutase suggests strong electronic coupling between cob(II)alamin and a radical

79 The electronic coupling between components varies with the s

80 The electronic coupling between contact F-Q pairs was found

81 triplet lifetime determined by the degree of electronic coupling between covalently linked pentacene

82 insights into the superexchange mechanism of electronic coupling between distant redox centers.

83 We also observe enhanced electronic coupling between donor and acceptor (HDA) in

84 acceptor states by 120 meV and decrease the electronic coupling between donor and acceptor states fr

85 airs reveals orbital alignment, evidence for electronic coupling between dots.

86 he detuning, dephasing, and the amplitude of electronic coupling between excitons reveal that differe

87 unusual anchoring group that enables strong electronic coupling between gold and the adsorbed dye, l

88 tron injection is ultrafast, owing to strong electronic coupling between graphene and TiO(2).

89 iscussed in terms of Fermi level pinning and electronic coupling between molecules and contacts.

90 We have also evaluated the electronic coupling between neighboring dehydroannulene

91 caused by force-induced changes in the pi-pi electronic coupling between neighbouring bases, and in t

92 gged-versions of cytc that facilitate strong electronic coupling between protein and electrode and, a

93 to two orders of magnitude, indicating that electronic coupling between proximal nucleobases dramati

94 hetic chemical surface treatments to enhance electronic coupling between QDs and allow for efficient

95 -Day class II mixed valent ions and (ii) the electronic coupling between Ru2 termini depends on the l

96 d Tyr-442, found on the surface of TMADH, in electronic coupling between the 4Fe-4S center of TMADH a

97 e distinct potentials, highlighting the weak electronic coupling between the adjacent redox centers.

98 t hence results from a strong, yet balanced, electronic coupling between the cation and the halides i

99 ative molecular cations allowing an enhanced electronic coupling between the cation and the PbI6 octa

100 at charge generation, attributed to smaller electronic coupling between the charge transfer states a

101 ternal reorganization energy) and H(ab) (the electronic coupling between the charge-bearing units) is

102 onformational changes in CP29 can "tune" the electronic coupling between the chlorophylls in this dim

103 ponent parts, indicating the relatively weak electronic coupling between the components.

104 Effective mass modeling indicates that electronic coupling between the different PbS conduction

105 lewheels in the framework, leading to strong electronic coupling between the dimeric Cu subunits.

106 The strong electronic coupling between the dyad units gives rise to

107 donor state on the flavin ring enhances the electronic coupling between the flavin and the dimer by

108 n the GC and the monolayer, caused by strong electronic coupling between the graphitic pi system and

109 he transition dipole moment as 0.3 D and the electronic coupling between the ground and CT states to

110 rs' by which novel materials are created via electronic coupling between the layers they are composed

111 ar materials which are fairly rigid, and the electronic coupling between the NP and other structural

112 sing complex on Au NPs (13 nm) and using the electronic coupling between the NPs and the surface plas

113 rry out useful redox chemistry depend on the electronic coupling between the oxidized donor and reduc

114 he rigid triangular architecture reduces the electronic coupling between the PDIs, so ultrafast symme

115 uthenium dendrimers suggest a very efficient electronic coupling between the peripheral donor groups

116 - and Q-band red shifts indicative of strong electronic coupling between the porphyrin and cyclobuten

117 ct meso-meso linkages do not provide optimal electronic coupling between the porphyrins within these

118 ta H for the configuration providing optimal electronic coupling between the redox sites and the conf

119 hrough the "direct" mechanism without strong electronic coupling between the singlet and triplet pair

120 d regime of close spatial proximity but weak electronic coupling between the singlet exciton and trip

121 However, the electronic coupling between the spin centres of these mo

122 The conclusion is that electronic coupling between the two metal centers occurs

123 The calculations indicate that electronic coupling between the two tetracene units is p

124 However, electronic coupling between the tyrosine and tryptophan

125 ually rendered three-dimensional by a finite electronic coupling between their component layers; a tw

126 not form a chemical bond and, therefore, the electronic coupling between them is weaker than in the T

127 and the PtN2S2 moieties), indicating little electronic coupling between them.

128 e on molecular structure of the through-bond electronic coupling between these species.

129 This behavior is indicative of weak electronic coupling between TiO(2) and the sensitizer.

130 t mechanisms appear to arise from changes in electronic coupling between TiO2 donor states and [Co(bp

131 range can be attributed to both an efficient electronic coupling between tobacco peroxidase and graph

132 ted by well-known statistical models and the electronic coupling between units is determined using Ma

133 ese observations are attributed to different electronic couplings between the molecules and the elect

134 ls of PDI results in significantly different electronic couplings between Z3PN and PDI when they are

135 owever, this orbital does not participate in electronic coupling by a hole transfer superexchange mec

136 e, particularly the control of the effective electronic coupling by the nuclear thermal motion.

137 ing a Holstein Hamiltonian parametrized with electronic couplings calculated using time-dependent den

138 rojector-operator diabatization approach for electronic coupling calculation with molecular dynamics

139 ature that the interchromophore (intradimer) electronic coupling can be modified by varying the oxida

140 llow minima in the potential energy surface, electronic coupling can vary by over an order of magnitu

141 Electronic coupling constants for Dexter transfer were d

142 free energies), reorganization energies, and electronic coupling constants, concluding that the forwa

143 ly distinct NIR dyes for which the degree of electronic coupling correlates with the relative orienta

144 rovides different superexchange pathways and electronic couplings depending on the anisotropic covale

145 Intermolecular electronic coupling dictates the optical properties of m

146 f the reorganization energy (lambda) and the electronic coupling element (H(ab)) that are required fo

147 idized and reduced to increase the effective electronic coupling element and enhance the rate of reve

148 ative UV-vis/EPR spectroscopies and (ii) the electronic coupling element H(ab) evaluated from the str

149 ] is traced directly to the variation in the electronic coupling element H(AB), which is found to be

150 sonance) bands afford reliable values of the electronic coupling element H(IV) based on the separatio

151 The presence of additional pairwise electronic coupling element in cyclic PPs, absent in lin

152 da (Marcus reorganization energy) and H(DA) (electronic coupling element) to be experimentally determ

153 ir diagnostic intervalence bands affords the electronic coupling elements (HDA), which together with

154 te model to adequately evaluate the critical electronic coupling elements between (P/P*+) redox cente

155 n transfer from Marcus-Hush theory using the electronic coupling elements evaluated from the diagnost

156 bands for the quantitative evaluation of the electronic coupling elements.

157 equation the reorganization energy (lambda), electronic coupling factor (H(AB)), and the ET distance

158 date, the rate constants are not limited by electronic coupling for bridges up to 28 angstroms long.

159 r solvents, and this observation enabled the electronic coupling for charge recombination, /V(CR)/, i

160 J, which directly monitors the superexchange electronic coupling for charge recombination.

161 Hush method substantially underestimates the electronic coupling for compounds that lie near the bord

162 The magnitude of the electronic coupling for photoinduced charge separation,

163 The electronic coupling for the energy-wasting charge recomb

164 and model slabs reveal that the inter-layer electronic couplings for the beta-phase devices will dim

165 The individual electronic couplings for the Car S(1) --> BChl energy tr

166 the maximum rate constant (and therefore the electronic coupling) for majority carriers in the solid

167 mines as examples, the UPS estimates for the electronic couplings H(ab) are compared with the corresp

168 The values of electronic coupling (H(AB)) and reorganization energy (l

169 s a true ET reaction that exhibits values of electronic coupling (H(AB)) and reorganization energy (l

170 mutation caused a 13.6-fold decrease in the electronic coupling (H(AB)) for the reaction.

171 Experimentally determined relative values of electronic coupling (H(AB)) for the two reactions correl

172 reaction of the O-quinol exhibited values of electronic coupling (H(AB)) of 0.13 cm(-1) and reorganiz

173 anizational energy (lambda) of 1.1 eV and an electronic coupling (H(AB)) of 0.3 cm-1.

174 es for the reorganizational energy (lambda), electronic coupling (H(AB)), and ET distance that are as

175 exchange (J approximately 1-175 cm(-1)) and electronic coupling (H(DA) approximately 450-6000 cm(-1)

176 This covalency-activated electronic coupling (H(DA)) facilitates long-range ET th

177 y [lambda] associated with each reaction and electronic coupling [H(AB)] of 5.9 and 47 cm-1 for the s

178 The electronic coupling |H(DA)| between (cbpy) and (ap) is a

179 energy gap, Delta, rather than bridge-bridge electronic couplings, H(BB).

180 occurs at a unique dihedral angle where the electronic coupling (Hab ) is one half of reorganization

181 N)PPn arises due to an interplay between the electronic coupling (Hab) and energy difference between

182 ron-transfer reaction because donor-acceptor electronic coupling (HAB) and reorganizational energy (l

183 Donor/acceptor electronic coupling (HAB) and reorganizational energy (l

184 dation potential (deltaE, 0.41-0.50) and the electronic coupling (Hab, 1.1 eV) are similar for 1a-d.

185 nor-bridge-acceptor molecules with different electronic couplings have been investigated as a functio

186 g the two-state model greatly underestimates electronic coupling here.

187 this difference to the decreased inter-ring electronic coupling in 44PCP.

188 nker structure on both energy relaxation and electronic coupling in bichromophoric molecules.

189 ical that contribute to our understanding of electronic coupling in cross-conjugated molecules and sp

190 ate model should not be used to estimate the electronic coupling in delocalized intervalence compound

191 ntification of the interplay of geometry and electronic coupling in metal-organic complexes in real s

192 Control of electronic coupling in particular necessitates chemical

193 s can thus provide a ready evaluation of the electronic coupling in polychromophoric molecules/assemb

194 We show that the electronic coupling in strongly coupled organic mixed-va

195 le transfer superexchange mechanism, and the electronic coupling in the radical cations of III and IV

196 idated by using a Landau-Zener model for the electronic coupling in the recombination rate constant.

197 acts, suggesting an effective intermolecular electronic coupling in two-dimensions.

198 and compositions, we are able to distinguish electronic coupling in-plane vs out-of-plane and, thus,

199 ch to the visible range and directly measure electronic couplings in a molecular complex, the Fenna-M

200 unchanged but the experimentally determined electronic coupling increased from 12 cm-1 to 142 cm-1,

201 ucture calculations reveal how the degree of electronic coupling is controlled by the dihedral angles

202 The electronic coupling is found to be smaller by approximat

203 a ethynes to a [Ru(tpy)(2)](2+) core, little electronic coupling is manifest between PZn units, regar

204 Additional evidence for the strong electronic coupling is provided by UV-vis, NIR, and EPR

205 In the both steps, the effective electronic coupling is robust to the thermal nuclear vib

206 and reaction free energies indicate that the electronic coupling is solvent independent, despite the

207 Consequently the through-pendant-group electronic coupling is stronger in the charge-separated

208 fect of each optical vibrational mode on the electronic couplings is evaluated quantitatively.

209 both the reorganization energy (lambda) and electronic coupling (|M|) through ultrafast methods.

210 es, once bound as siloxanes, have diminished electronic coupling making them useful as catalyst ancho

211 Independent measures of the electronic coupling matrix element (H) for D/D*(+) elect

212 and magnetic exchange interaction (J) to the electronic coupling matrix element (HAB) in Tp(Cum,MeZn)

213 attributable completely to a decrease in the electronic coupling matrix element (HAB).

214 ucture contributions to the magnitude of the electronic coupling matrix element associated with a giv

215 action, 2J, which is directly related to the electronic coupling matrix element for CR, V(CR)(2).

216 methodology can be extended to determine the electronic coupling matrix element in related SQ-Bridge-

217 A interaction given by the magnitude of the electronic coupling matrix element, H(ab).

218 reaction can provide a direct measure of the electronic coupling matrix element, V, for the subsequen

219 calculate the through-space component of the electronic coupling matrix element.

220 dependence of donor-bridge-acceptor (D-B-A) electronic coupling matrix elements (H(DA), determined f

221 The electronic coupling matrix elements attending the charge

222 for these systems between 0.6 and 0.8 eV and electronic coupling matrix elements between 4.8 and 5.6

223 radical cations results in nearly identical electronic coupling matrix elements for electron transfe

224 A systematic determination of electronic coupling matrix elements in U-shaped molecule

225 Electronic coupling matrix elements, Gibbs free energy,

226 and recombination as well as the calculated electronic coupling matrix elements, V, for these reacti

227 charge-transfer transition energies and the electronic-coupling matrix element, |H(DA)|, for electro

228 ide-by-side comparison of binding energy and electronic coupling may prove useful for other pi-stacke

229 We demonstrate that inter-layer electronic couplings may result in a drastic decrease of

230 aqueous interface reveals three distinctive electronic coupling mechanisms that we describe here: (i

231 Strong electronic coupling mediated by the p-phenylene bridge s

232 thin a distance of 12 A, compatible with the electronic coupling necessary for efficient electron tra

233 Correlating the energy transfer events and electronic coupling occurring in tens of femtoseconds wi

234 ution state, suggesting strong interparticle electronic coupling occurs in the solid state.

235 s on the picosecond time scale; that is, the electronic coupling occurs predominantly through the pi-

236 It is proposed that, while the electronic coupling occurs principally by an electron-ho

237 ite-light-emitting nanophosphors obtained by electronic coupling of defect states in colloidal Ga2O3

238 The binding energy and electronic coupling of perylenediimide (PDI) pi-stacked

239 ntensity sensitively depend on the degree of electronic coupling of the chromophore.

240 the heme ruffling deformation decreases the electronic coupling of the cofactor with external redox

241 ich bonds to the electrodes, achieving large electronic coupling of the electrodes to the pi system.

242 t the new contacts dramatically increase the electronic coupling of the oligophenylene backbone to th

243 his similarity arises from the fact that the electronic couplings of both hole and electron are contr

244 Variable electronic coupling offers a convenient structural platf

245 No change in the experimentally determined electronic coupling or ET distance was observed, confirm

246 The electronic coupling parameter is evaluated at the densit

247 in oxidation state as well as differences in electronic coupling pathways between Heme b and heme o(3

248 e issue of symmetry versus asymmetry from an electronic coupling perspective between the two dithiole

249 The electronic coupling, rebinding barrier, and Landau-Zener

250 between electron spin exchange coupling and electronic coupling related to electron transfer, we als

251 r tyrosine residues with favorable predicted electronic coupling: residues 148, 348, 404, and 504 (ov

252 crystals with extra significant inter-layer electronic couplings show a maximum mobility of only 0.1

253 Neighboring orbital estimation of the electronic couplings show that using the two-state model

254 clear reorganization energy (lambda) and the electronic-coupling strength (HAB).

255 ve to the linker groups because of different electronic coupling strengths between the molecules and

256 -mediated superexchange to achieve the large electronic coupling strengths required for delocalizatio

257 ate the diabatic electron transfer distance, electronic coupling strengths, and energy barriers in th

258 Analyses of electronic-coupling strengths suggest that the efficienc

259 Calculated state energies and electronic couplings suggest that reduction initially pr

260 rstand the structural features and resulting electronic coupling that leads to T-TET dynamics adapted

261 ies originate from an intrinsic chemical and electronic coupling that synergistically promotes the pr

262 n of light into chemical energy is driven by electronic couplings that ensure the efficient transport

263 y the film morphology but causes a decreased electronic coupling, the formation of a charge transfer

264 systems allows for the determination of the electronic coupling through a pendant molecular moiety t

265 Nevertheless, conventional ideas regarding electronic coupling through alkane bridges and solvent d

266 sults reveal the important interplay between electronic coupling through metal-pi interactions and qu

267 he IET behavior of these dimers, such as the electronic coupling through the bridges.

268 ecombination rates presumably due to reduced electronic coupling through the cross-conjugated bridges

269 Electronic coupling through the phenyl bridge was a fact

270 ge transport is facilitated by the extensive electronic coupling through the triptycene framework (in

271 -), we compute the conformationally averaged electronic coupling to acceptor states of the thymine di

272 stitution from sulfur to tellurium increases electronic coupling to decrease the length of the carbon

273 Electronic coupling to electrodes, Gamma, as well as tha

274 mophore (complex 4) results in a decrease in electronic coupling to the dimanganese core of nearly 2

275 t of the molecular rod in position 7 and its electronic coupling to the gold substrate.

276 steric repulsions, which serves to minimize electronic coupling to the ground state.

277 rate that the carbodithioate linker augments electronic coupling to the metal electrode and lowers th

278 to their electrical conductivity and strong electronic coupling to the metal oxide surface.

279 er is almost completely detached, shows weak electronic coupling to the metal, and hence retains the

280 eroid interfacial modifiers exhibit enhanced electronic coupling to the underneath metal oxides.

281 electronic band structure and intermolecular electronic couplings (transfer integrals) as a function

282 , which are related to the modulation of the electronic couplings (transfer integrals) between adjace

283 ransfer distance produces an estimate of the electronic coupling V(ab) through the saturated bridge o

284 VCT bands of both 1(+) and 2(+) gives larger electronic couplings, V, than for their analogues in whi

285 The corresponding electronic coupling, /V/, increases approximately by a f

286 anu(0-0), and the guest-to-external acceptor electronic coupling, /V/, was found.

287 ion of energy levels and the distribution of electronic coupling values, tunneling over three tryptop

288 lysis of these bands yields estimates of the electronic coupling varying from 480 cm(-1) (electron-po

289 HOMO-LUMO gaps, can provide substantial D-A electronic coupling when organized within a pi-stacked s

290 ctions give rise to a significant interstack electronic coupling whereas the intrastack dispersion is

291 (solvent) reorganization energies and on the electronic coupling, which is averaged over the reactant

292 t-electron state energy and the water-TiO(2) electronic coupling, while the latter changes only the e

293 re characterized by strong interchromophoric electronic coupling with redox and optical properties be

294 can penetrate this groove to facilitate good electronic coupling with the 4Fe-4S center.

295 This tethering allows for effective electronic coupling with the DNA bases, resulting in a s

296 esponses: based on modeling, we suggest that electronic coupling with the SAM headgroup (H(3)C- and/o

297 the Fermi energies of the electrodes and the electronic coupling with those electrodes.

298 As a result of electronic coupling within these aggregates, a redshift