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 e of orbitals that mediate the long distance electronic coupling.

3 ver a free chromophore, signifying increased electronic coupling.

4 effect in the strength of the intermolecular electronic coupling.

5 nergy and is not significantly influenced by electronic coupling.

6 ical macrocyclic architectures, reducing the electronic coupling.

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

8 pped over, behavior consistent with stronger electronic coupling.

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

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

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

12 exciplexes (88-97%) was calculated from the electronic coupling.

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

14 ice assemblies, representing strong inter-NC electronic coupling.

15 h can be harnessed for strong intermolecular electronic coupling.

16 smatch as an important concept in control of electronic couplings.

17 hen used to explore solvation structures and electronic couplings.

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

19 the vibrational modulation of intermolecular electronic couplings.

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

21 e groups and lead to improved intermolecular electronic couplings.

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

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

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

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

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

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

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

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

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

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

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

33 Moreover, the electronic coupling among the triphenylethylene moieties

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

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

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

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

38 cus theory in the normal region, at moderate electronic coupling and at low re-organization energy.

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

40 Theoretical calculation of electronic coupling and charge mobility was carried out

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

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

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

44 The strong electronic coupling and favorable energy level alignment

45 Electronic coupling and ground-state charge transfer at

46 achieved by manipulation of the strengths of electronic coupling and hydrogen bonding.

47 80 < HDA < 540 cm(-1) consistent with strong electronic coupling and slow solvent dynamics.

48 ions for dyads show both strong through-bond electronic coupling and through-space electronic interac

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

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

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

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

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

54 Interchromophore electronic couplings and interactions between pigments a

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

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

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

58 The electronic couplings and the rates of exciton dissociati

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

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

69 both decreasing reorganization energies and electronic couplings as n is increased.

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

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

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

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

74 It is found that the electronic coupling between adjacent radical centers in

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

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

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

78 The electronic coupling between components varies with the s

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

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

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

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

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

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

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

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

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

88 We have also evaluated the electronic coupling between neighboring dehydroannulene

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

90 that the governing factor is the strength of electronic coupling between pairs of linkers sited in th

91 and experimentally indicated that the strong electronic coupling between PCN and [001]-oriented HP na

92 nd stability are believed to result from the electronic coupling between Pd and Ag, which lowers the

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

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

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

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

97 double hydroxides, which possesses a strong electronic coupling between ruthenium and layered double

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

99 idization attachment of AuNPs resulting from electronic coupling between the Au film and AuNPs, as we

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

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

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

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

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

105 tors, emergent properties resulting from the electronic coupling between the conjugate moieties are o

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

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

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

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

110 al role of continuous conjugation and strong electronic coupling between the GCC acid site and the gr

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

112 ude and is determined by the strength of the electronic coupling between the individual nanoclusters

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

114 Electronic coupling between the ligand ferrocene units i

115 rates are dominated in all instances by the electronic coupling between the lowest excited state, wh

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

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

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

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

120 However, the electronic coupling between the QDs and AQ derivatives,

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

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

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

124 noradicals along with a subtle difference of electronic coupling between the two carbazole units, whi

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

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

127 However, electronic coupling between the tyrosine and tryptophan

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

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

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

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

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

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

134 stronger pai-pai stacking and intermolecular electronic coupling between TPP(+) cations in TPP(2) ZnC

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

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

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

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

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

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

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

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

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

144 bleach inter-chain interactions with H-type electronic coupling character, while electrons' relaxati

145 Electronic coupling constants for Dexter transfer were d

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

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

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

149 addition, the specific S(1)-to-(1)(T(1)T(1)) electronic coupling depends on the crystal morphology an

150 Intermolecular electronic coupling dictates the optical properties of m

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

166 The electronic coupling for the energy-wasting charge recomb

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

168 the data using ET theory identifies smaller electronic couplings for the highly delocalized P3DT ani

169 libration standards are used to quantify the electronic coupling from bench to cell from DC to 26 GHz

170 by the dependence of the molecule-electrode electronic coupling Gamma on strain and the spatial exte

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

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

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

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

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

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

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

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

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

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

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

186 1))-to-(5)(T(1)T(1)) transition, the sizable electronic coupling in A and B is counterproductive, and

187 Sizeable electronic coupling in A and B opens, on one hand, an ad

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 n orbital localization or delocalization and electronic coupling in molecular junctions and therefore

193 Control of electronic coupling in particular necessitates chemical

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

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

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

197 ar and T-shaped heme pairs, strongly enhance electronic coupling in these two motifs.

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

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

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

201 gs suggest that CDs could be used to support electronic couplings in multichromophoric systems and fu

202 Intermolecular charge-transfer electronic couplings in the solid state are relatively w

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

204 her with ZINDO-level computed intermolecular electronic coupling integrals as high as 57 meV, and B3L

205 as low as 160/150 meV, large intermolecular electronic coupling integrals of 12.1-37.9 meV rationali

206 basic parameters governing ET reactions-like electronic coupling, interactions with the environment,

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

208 The electronic coupling is found to be smaller by approximat

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

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

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

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

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

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

215 whereas a mechanism involving more intimate electronic coupling, likely photoinduced electron transf

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

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

218 exchange coupling (J) and the corresponding electronic coupling matrix element (H(DA)) for eight tra

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

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

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

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

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

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

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

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

227 The electronic coupling matrix elements attending the charge

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

229 Electronic coupling matrix elements between ground, char

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

231 Electronic coupling matrix elements, Gibbs free energy,

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

257 The results further imply that electronic couplings smaller than usually found for mole

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

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

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

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

262 larger than the nearest-neighbor inter-site electronic coupling (t).

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

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

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

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

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

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

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

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

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

272 Electronic coupling through the phenyl bridge was a fact

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

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

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

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

277 microscopy/spectroscopy to discover unusual electronic coupling to flat-band phonons in a layered ka

278 0) (graphene) were measured, despite limited electronic coupling to the Au electrode, demonstrating t

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

295 velength Q(y) band, which indicates a strong electronic coupling with a strength of V = ~477 cm(-1) t

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

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

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

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

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