ライフサイエンスコーパス: LUMO

1 anced back donation of electrons to the N(2) LUMO.

2 acteristic of 2 and 3 is that they possess a LUMO that develops through space as the result of the in

3 potential (electrode Fermi level) suggests a LUMO mediated transport mechanism.

4 ractions of the stilbene pi* orbitals with a LUMO centered within the cage that has 4A(1) symmetry an

5 vorable energy level match with PCBM (with a LUMO energy level of -3.29 eV) and a favorable film doma

6 , in combination with the low-lying absolute LUMO energies, these data suggest that the compounds are

7 nd that exhibits the smallest donor/acceptor LUMO energy level offset, the photocurrent quantum yield

8 romatic donor (HOMO) and the NO(+) acceptor (LUMO) clearly suggests an ipso electrophilic attack by a

9 the lambda(abs) for a planned analogue, and LUMO levels of an aryl moiety vs 8-vinyl 9-Me-adenine, a

10 species with a high electron-deficiency and LUMO energies of -4.8 eV, bathochromic shifts, and a str

11 ation of carbonyl compounds through HOMO and LUMO activation pathways has been studied.

12 s system, self-assembly changes the HOMO and LUMO energies, making their population accessible via EC

13 da(em) and phi of 5-17 and computed HOMO and LUMO energy levels of fragments of 5-17, i.e., 8-vinyl 9

14 Thus, this dye possesses favorable HOMO and LUMO energy levels to render efficient sensitizing actio

15 ll the substituent effects on their HOMO and LUMO energy levels.

16 as electronic properties including HOMO and LUMO energy levels.

17 m where constructive QI between the HOMO and LUMO is suppressed and destructive QI between the HOMO a

18 open-circuit voltage show that the HOMO and LUMO levels change continuously with composition in the

19 r conformation for both meshes with HOMO and LUMO orbitals entirely delocalized over the molecules.

20 tries of the meshes alongside their HOMO and LUMO orbitals were calculated using DFT calculations at

21 nd 4 reveal similar energies of the HOMO and LUMO orbitals, with the LUMO orbital of both complexes l

22 ngs, and thus the energy gap of the HOMO and LUMO pi orbitals is lower as compared to that of carbazo

23 -circuit voltage involve tuning the HOMO and LUMO positions of the donor (D) and acceptor (A), respec

24 riplet configurations involving the HOMO and LUMO rather than the first singlet excited state.

25 Theoretical results show that the HOMO and LUMO states are always the pi and pi* states on the stil

26 mulations is that frontier orbitals HOMO and LUMO undergo substantial stabilization at the interface

27 igh EQE, it is critical to have the HOMO and LUMO values of one of the ions fall between those of the

28 sed to determine the energy levels (HOMO and LUMO) in the bistriazines.

29 h the preferential stabilization of HOMO and LUMO, respectively.

30 ering of the HOMO-1 and HOMO or the LUMO and LUMO+1 of pyrene, respectively.

31 d to the number and symmetry of the LUMO and LUMO+1 of the heterocyclic diimine ligands.

32 s f(alphaalpha)(+) and f(betabeta)(+)(r) and LUMO densities considering finite differences and frozen

33 on was found to be controlled by Pd-HOMO ArO-LUMO interaction, where C-Cl insertion is facilitated by

34 A generic activation mode for asymmetric LUMO-lowering catalysis has been developed using the lon

35 bital (FMO) interaction between the azadiene LUMO and alkene HOMO.

36 on (634-659 nm) by radiative decay from beta-LUMO to beta-SOMO, based on density functional theory an

37 anotube conduction bands and the C61 and C71 LUMO levels are less than the exciton binding energy in

38 the reduction potentials and the calculated LUMO-positions are decreased by the introduction of the

39 lphaKG that lower the energy of its carbonyl LUMO, activating it for nucleophilic attack by the Fe-O2

40 broadening and splitting of the chromophore LUMO on complexation due to interaction with the cluster

41 High phi correlated with relatively close LUMO levels of 19-30 and 18 (-0.076 to -0.003 eV).

42 ing efficiency is consistent with the deeper LUMO level of C85 methanofullerene in comparison with th

43 TI3T:Phenyl-PDI is found to have the deepest LUMO, intermediate crystallinity, and the most well-mixe

44 ding a low-lying and extensively delocalized LUMO and a wide HOMO-LUMO gap, which arise from the comb

45 nteractions of the BCN HOMO-1 with the diene LUMO.

46 nic assistance of C-C bond formation (i.e., "LUMO umpolung") and crossover from a diradical to a zwit

47 gaps and acceptor molecules with low energy LUMO and terminal alkyl chain.

48 gy levels relative to ITIC1 (HOMO: -5.48 eV; LUMO: -3.84 eV), and higher electron mobility (1.3 x 10(

49 size dependent electronic properties (e.g., LUMO) of the clusters with respect to the band edges of

50 d the core positions, respectively, and gave LUMO energy levels that range from -3.57 to -4.14 eV.

51 reduced at small negative potentials giving LUMO energy levels of -3.57 to -3.74 eV.

52 dominated by the quasi-degenerate HOMO-1 --> LUMO and HOMO-2 --> LUMO excitations, while their intera

53 si-degenerate HOMO-1 --> LUMO and HOMO-2 --> LUMO excitations, while their interaction gives rise to

54 225) are described by singly excited HOMO -> LUMO configurations, providing a rational for the simult

55 tate of a molecule is dominated by the HOMO->LUMO excitation, a comparably simple but theoretically c

56 Whereas a simple HOMO-->LUMO-type single substitution perfectly accounts for the

57 re more hydrophobic and have slightly higher LUMO energy levels, thus providing better device perform

58 rast to -0.6 eV estimated from reported HOMO LUMO differences, illustrating the challenges that persi

59 difications could be used to alter the HOMO, LUMO, and band gap over a range of 1.0, 0.5, and 0.5 eV,

60 support the structural model, predict a HOMO-LUMO energy gap of 1.77 eV, and predict a new "monomer m

61 filled electronic states and to open a HOMO-LUMO gap, the Jahn-Teller effect and relativistic spin-o

62 on barriers, polarization energies, and HOMO-LUMO energy gaps are strongly dependent on the particula

63 affinities in the range 2.5-5.5 eV and HOMO-LUMO gaps between 1.6 and 3.2 eV.

64 the basis of their singlet-triplet and HOMO-LUMO gaps respectively.

65 ructure and the key parameters, such as HOMO-LUMO gap, frontier molecular orbital energies, and react

66 y cytochrome c was further supported by HOMO-LUMO calculations performed at the density functional th

67 lic voltammetry studies, show decreased HOMO-LUMO energy gaps upon the installation of the push-pull

68 cs, high crystallinity, and a decreased HOMO-LUMO gap.

69 molecular orbitals show that the direct HOMO-LUMO transition is polarized orthogonal to the axis of c

70 The bcc nanocluster has a distinct HOMO-LUMO gap of ca. 1.5 eV, much larger than the gap (0.9 eV

71 -1) cm(-1)) and a small electrochemical HOMO-LUMO gap (0.61 eV).

72 etric pi-systems and their one electron HOMO-LUMO excitations, an intuitive understanding of the vexi

73 We find that the energetic HOMO-LUMO gap, a correlate of chemical reactivity, becomes in

74 parameters like frontier orbital energy-HOMO-LUMO energy gap, hardness and softness were calculated u

75 magnetic with Ih symmetry and a 1.33 eV HOMO-LUMO gap, whereas the 4- ion undergoes a Jahn-Teller dis

76 ayer is based on a molecule with a high HOMO-LUMO gap, i.e., tetrafluorobenzene, no rectification is

77 y high energy HOMO, molecules with high HOMO-LUMO gaps and acceptor molecules with low energy LUMO an

78 closed electronic shells marked by high HOMO-LUMO gaps of 1.24 and 1.39 eV, respectively.

79 to highly stable species with increased HOMO-LUMO gaps, akin to s-p hybridization in an organic carbo

80 UV-vis studies confirm very interesting HOMO-LUMO levels and energy gaps for the new compounds.

81 realized 2D polymers grant insight into HOMO-LUMO gap contraction with increasing oligomer size and s

82 at the DFT level indicate a very large HOMO-LUMO energy gap in [M(6) Ge(16) ](4-) (2.22 eV), suggest

83 DFT calculations show a very large HOMO-LUMO gap of 2.42 eV.

84 b; B = Mg, Zn, Cd), which possess large HOMO-LUMO gaps (1.29 to 1.54 eV) and low formation energies (

85 Large HOMO-LUMO gaps are observed in the anion photoelectron spectr

86 are found to be closed shell with large HOMO-LUMO gaps, and their electron affinities (EAs) are measu

87 late boron compounds have a much larger HOMO-LUMO energy gap (>3.60 eV).

88 functional show that a metal-to-ligand HOMO-LUMO excitation is mainly responsible for the blue color

89 The nominally metal-localized HOMO-LUMO transition of these nanoclusters lowers in energy l

90 asurements demonstrated tunable and low HOMO-LUMO band gaps for the series.

91 er electron-accepting potency and lower HOMO-LUMO gaps than the corresponding TCBDs, as evidenced by

92 or-acceptor-donor systems feature lower HOMO-LUMO gaps than the terthiophene-linked nucleobases (Delt

93 agnetic moment of 28 microB, a moderate HOMO-LUMO gap, and weak inter-cluster interaction energy, mak

94 y of silylenes take advantage of narrow HOMO-LUMO energy gap and Lewis acid-base bifunctionality of d

95 nduction bands, coupled with the narrow HOMO-LUMO gap, affords a small band gap semiconductor with si

96 laxed reactant monomers and to a narrow HOMO-LUMO gap.

97 al mol(-1), which results in a narrowed HOMO-LUMO gap and a red shift in the visible part of the abso

98 itions yields oligomers with a narrower HOMO-LUMO gap relative to the all-thiophene analogue 2,2'-bit

99 -1 b and Pen-2 a) possess much narrower HOMO-LUMO gaps (1.65 and 1.42 eV redox, respectively) and hig

100 his strategy is the high sensitivity of HOMO-LUMO energies and photoinduced charge transfer toward se

101 Calculation of HOMO-LUMO gap of 5-17 enables accurate prediction of the lamb

102 The determination of HOMO-LUMO levels by linear sweep voltammetry suggests that th

103 o linear suppression of the band gap or HOMO-LUMO gap as a function of the stacking.

104 al-lowest unoccupied molecular orbital (HOMO-LUMO) gap and natural bond orbital (NBO) valence energie

105 MO-lowest unoccupied molecular orbital (HOMO-LUMO) gaps in organic electronic materials.

106 lude (i) both nanoclusters show similar HOMO-LUMO gap energy (i.e., Eg approximately 0.45 eV), indica

107 ) Orientational BN isomers have similar HOMO-LUMO gaps.

108 enter and consequently has a very small HOMO-LUMO gap (187 kJ mol(-1)).

109 6) and, in one case, a remarkably small HOMO-LUMO gap (DeltaE = 0.68 V).

110 icant conjugation, resulting in a small HOMO-LUMO gap (HLG) and ultimately a C-H borylation of the an

111 c 16pi-electron zwitterion with a small HOMO-LUMO gap.

112 low-lying LUMO energy levels and small HOMO-LUMO gaps.

113 lectrochemical data showed much smaller HOMO-LUMO energy gaps compared to other neutral, acene-like h

114 duces the energy of LUMO, and a smaller HOMO-LUMO gap facilitates stronger magnetic coupling and ther

115 e macrocycle, and that it has a smaller HOMO-LUMO gap than its all-butadiyne-linked analogue, as pred

116 In addition, a considerably smaller HOMO-LUMO gap was observed due to efficient pi-delocalization

117 ed that all three compounds had smaller HOMO-LUMO gaps and were more electron-rich in nature than fer

118 g polymers are computed to have smaller HOMO-LUMO gaps than the unsubstituted materials.

119 A substantial HOMO-LUMO gap indicates that the proposed structures do not s

120 d with increasing BN incorporation, the HOMO-LUMO band gap remains unchanged across the anthracene se

121 calculation done by DFT shows that the HOMO-LUMO bandgaps are in good agreement with experimental da

122 imilar, and DFT calculations showed the HOMO-LUMO energy difference was smaller than tetrapyrrolic po

123 ith a metal leads to a reduction of the HOMO-LUMO energy gap and elongation of the C-H bond in the al

124 l 21,23-dithiaporphyrins; shrinking the HOMO-LUMO energy gap by destabilizing the HOMO energy.

125 In analogy, the HOMO-LUMO energy gap of the thienopyrrolo[3,2,1-jk]carbazoles

126 erimentally estimated dependence of the HOMO-LUMO energy gap on the actual charge carried by the clus

127 The HOMO-LUMO energy gaps suggest that, after their deprotonation

128 The HOMO-LUMO energy gaps, as determined by UV-vis spectroscopy,

129 eV upon each protonation step, (2) the HOMO-LUMO energy gaps, of ~2.3 eV for 1(powder) and ~2.0 eV f

130 he basis of the DFT calculations of the HOMO-LUMO energy levels of the chiral forms, these compounds

131 terns evaluated at the mid-point of the HOMO-LUMO gap (referred to as M-functions) correctly predicts

132 is due to a significant decrease of the HOMO-LUMO gap and also the enhanced transmission close to the

133 core induces a dramatic widening of the HOMO-LUMO gap and an enhancement of the blue-shifted emissive

134 sults in a significant reduction of the HOMO-LUMO gap and an enhancement of the NLO response.

135 es suggested a relationship between the HOMO-LUMO gap and Phi and explained the loss of fluorescence

136 Thus, both the HOMO-LUMO gap and specific frontier molecular orbital levels

137 ruciform should mandate a change in the HOMO-LUMO gap and the resultant optical properties.

138 The HOMO-LUMO gap for 2b, at 2.14 V, was typical for a ZnTPP deri

139 arrier hydrogen bonding to modulate the HOMO-LUMO gap in xanthene dyes.

140 The HOMO-LUMO gap is significantly decreased upon substitution of

141 e of the molecular length and/or of the HOMO-LUMO gap leads to a decrease of the single-junction cond

142 two possible forms and confirm that the HOMO-LUMO gap of dyes is nearly twice as large in the nonconj

143 The HOMO-LUMO gap of the Sm@C88 molecule decreases remarkably at

144 and showed significant narrowing of the HOMO-LUMO gap upon incorporation of Ce(3+) within the semimet

145 reduction potential and decrease in the HOMO-LUMO gap was observed.

146 try revealed a moderate decrease in the HOMO-LUMO gap with increasing fluorination.

147 ttributed to the strong decrease in the HOMO-LUMO gap with increasing length.

148 d to the excited states higher than the HOMO-LUMO gap, across the HOMO-LUMO gap, and of semi-rings, r

149 gher than the HOMO-LUMO gap, across the HOMO-LUMO gap, and of semi-rings, respectively.

150 ctrodes lies close to the center of the HOMO-LUMO gap, the ratio of their conductances is equal to (M

151 nd energy levels and a reduction of the HOMO-LUMO gap.

152 ated form, resulting in a change in the HOMO-LUMO gap.

153 ength, which results in lowering of the HOMO-LUMO gap.

154 cycloaddition, and the analysis of the HOMO-LUMO interactions explains why only E-dihydropyrans from

155 acking in the anti pathway, whereas the HOMO-LUMO overlap between the fragments is greater for the an

156 ambda(max)=925 nm and the nature of the HOMO-LUMO transition is investigated by time-dependent DFT ca

157 transfer from surface to kernel for the HOMO-LUMO transition.

158 values of up to 24 M(-1) cm(-1) for the HOMO-LUMO transition.

159 functional theory calculations of their HOMO-LUMO gaps.

160 oxidation reactions were correlated to HOMO-LUMO energy gaps obtained from UV-vis spectroscopy and t

161 ation and stabilization energies, while HOMO-LUMO gaps are used to measure the kinetic stabilities.

162 extensively delocalized LUMO and a wide HOMO-LUMO gap, which arise from the combination of a cyclic p

163 dimension leads to novel materials with HOMO-LUMO gaps smaller than in 1D polymers built from the sam

164 E-type molecules with varied length and HOMO/LUMO energy.

165 n is determined by the cation and anion HOMO/LUMO gaps and, more importantly, by their relative LUMO

166 e lower frontier orbital energy levels (HOMO/LUMO=-5.9/-4.0 eV) than poly(3-hexylthiophene) owing to

167 ing LUMO energy level and nondisjointed HOMO/LUMO profile.

168 , high solubility and narrowest optical HOMO/LUMO gap of any para-polyphenylene synthesized make [5]C

169 individually, e.g., Fukui functions or HOMO/LUMO orbitals for the spin-pairing/(frontier) orbital in

170 ordering of 1 shows a relatively small HOMO/LUMO gap with the LUMO comprised by Fe(dxz,yz)N(px,y) pi

171 alculations on model compounds gave the HOMO/LUMO energies.

172 hermal or photoinduced depending on the HOMO/LUMO energy difference between the electron donor (anion

173 ectrochemical studies show that their HOMOs, LUMOs, and energy gaps can be easily modified or fine-tu

174 le quinoline and activate it by lowering its LUMO energy, we discovered that it is preferable to lowe

175 ugated molecules with a low band gap and low LUMO level were synthesized through an N-directed boryla

176 r consists of naphtalene diimides having low LUMO energy level.

177 AzaBPDI and PDI-AzaBPDI dyads presenting low LUMO levels, a broad absorption in the visible range, an

178 ble range, good accepting abilities with low LUMO levels, and efficient electronic interactions betwe

179 narrower band gaps and to drastically lower LUMO energies.

180 organic conjugated polymers possessing lower LUMO (lowest unoccupied molecular orbital), less than -4

181 However, the 60 meV lowered LUMO level of NCBDT hardly changes the Voc level, and th

182 nalized azaacenes with significantly lowered LUMO levels (down to -4.49 eV), narrowed band gaps (down

183 hed to N in (a) and to C in (b), by lowering LUMO energies and by stabilizing the products of fragmen

184 ient NDI [(1a(2+))2BF4(-)] having the lowest LUMO level recorded for an NDI, overwhelming the formati

185 and RCN units afford SFBRCN with a low-lying LUMO (lowest unoccupied molecular orbital) level, while

186 The fused planar structure with a low-lying LUMO and low reorganization energy facilitates electron

187 even poorer performance due to its low-lying LUMO energy level and nondisjointed HOMO/LUMO profile.

188 incorporating BAI acceptor possess low-lying LUMO energy levels and small HOMO-LUMO gaps.

189 fold reduction processes, and have low-lying LUMO energy levels down to -3.62 eV.

190 The presence of a low-lying LUMO in 3a gives rise to high electron affinity which, i

191 small singlet-triplet gap and very low-lying LUMO levels.

192 s are larger due to the relatively low-lying LUMO of PFAAs.

193 ical calculations indicate notably low-lying LUMO values for the iAQMs.

194 yl radicals 2 is the presence of a low-lying LUMO which, in the solid state, improves charge transpor

195 hat the carbene exhibits a unique, low-lying LUMO, which may explain the atypical reactivity observed

196 the carbenes (cAAC/NHC) due to a lower lying LUMO of cAAC.

197 ce, a result of an energetically lower-lying LUMO level that extends deeper into the backbone.

198 By utilizing stable carbenes with low-lying LUMOs, coupling with the stable nucleophilic diaminocycl

199 ed state formed by a Ph-NN (HOMO) --> Ph-NN (LUMO) one-electron promotion configurationally mixes int

200 fs after instantaneous excitation to the NPA LUMO + 1 has been evaluated.

201 ple chromophores after excitation to the NPA LUMO + 2 state on a 15 fs time scale is also obtained.

202 The electron density of LUMO of nitro analogues 9 and 15 is localized on the ary

203 length of the coupler reduces the energy of LUMO, and a smaller HOMO-LUMO gap facilitates stronger m

204 cting the inter-ring angle and the extent of LUMO stabilization about the diketophophanyl scaffold.

205 lations substantially stronger than those of LUMO energies, and is overall more reliable than the mol

206 ion of carbonyl compounds, via HOMO, SOMO or LUMO activation pathways.

207 eV) and lowest unoccupied molecular orbital (LUMO) (-3.80 eV) energy levels relative to ITIC1 (HOMO:

208 of the lowest unoccupied molecular orbital (LUMO) and the electron affinities (EA) of the molecules.

209 to the lowest unoccupied molecular orbital (LUMO) and the LUMO+1 levels in C(60), respectively.

210 and the lowest unoccupied molecular orbital (LUMO) are generally energetically and chemically stable.

211 e C(60) lowest unoccupied molecular orbital (LUMO) band is strongly delocalized in two-dimensions, wh

212 a large lowest unoccupied molecular orbital (LUMO) density and Fukui function but a large potential d

213 (3) and lowest unoccupied molecular orbital (LUMO) energies centered around -0.8 eV.

214 hat the lowest unoccupied molecular orbital (LUMO) energy is governed by the ligand field strength an

215 of the lowest unoccupied molecular orbital (LUMO) energy level and a narrowing of the highest occupi

216 shifted lowest unoccupied molecular orbital (LUMO) energy level due to the fluorination of A units.

217 ase the lowest unoccupied molecular orbital (LUMO) energy level of the porphyrins and, consequently,

218 (HOMO)-lowest unoccupied molecular orbital (LUMO) gap in the polycyclic aromatic hydrocarbons compri

219 the QD lowest unoccupied molecular orbital (LUMO) is lowered in energy, and the LUMO density extends

220 he high lowest unoccupied molecular orbital (LUMO) level of EH-IDTBR.

221 a lower lowest unoccupied molecular orbital (LUMO) level, and a localization of these molecular orbit

222 shifted lowest unoccupied molecular orbital (LUMO) levels, and hence higher open-circuit voltages can

223 PB) and lowest unoccupied molecular orbital (LUMO) of 1,3,5-tri(1-phenyl-1H-benzo[d]imidazol-2-yl)phe

224 MO) and lowest unoccupied molecular orbital (LUMO) of the optically relevant fragments; however, the

225 w-lying lowest unoccupied molecular orbital (LUMO) over the oligothienyl moieties, as confirmed by de

226 and the lowest unoccupied molecular orbital (LUMO) produces a nonlinear energy-dependent tunnelling p

227 w-lying lowest unoccupied molecular orbital (LUMO), consequently exhibiting a small bandgap.

228 and the lowest unoccupied molecular orbital (LUMO).

229 ng of the highest occupied molecular orbital-LUMO gap.

230 to the lowest unoccupied molecular orbitals (LUMOs) which are strongly dependent on the substitution

231 their lowest unoccupied molecular orbitals (LUMOs).

232 es simultaneous interactions of the oxyallyl LUMO with the carbonyl pi and lone-pair orbitals, making

233 c transition states facilitated by lone pair-LUMO interactions between the migrating R group and the

234 The energy of the pi* LUMO of the imine is lowered by the catalyst, which ther

235 involved in the SQ(pi)(SOMO) --> NN-Ph (pi*)(LUMO) D --> A charge transfer (CT) transition.

236 ping has long been recognized as a promising LUMO energy-lowering modification of graphene and relate

237 aps and, more importantly, by their relative LUMO alignments.

238 stems to effect this ET to populate PyH(+)'s LUMO (E(0)(calc) approximately -1.3 V vs SCE) to form th

239 it in the ternary copolymers show up-shifted LUMO energy levels, increased electron mobilities, and i

240 I2OD-T2), though exhibiting a rather similar LUMO structure and energy compared with the regioregular

241 addition, considerable crystal orbital (SOMO/LUMO) mixing occurs upon pressurization, so that a metal

242 eactivities of cyclooctynes, two strategies, LUMO lowering through propargylic fluorination and strai

243 ith DTP derivative is attributed to stronger LUMO-LUMO interaction due to a larger size of selenium a

244 the context of electron storage, this "super-LUMO" serves as an empty reservoir, which can be filled

245 Both the HOMO and the LUMO are lowered in energy, with the net effect being de

246 orbital (LUMO) is lowered in energy, and the LUMO density extends onto the adsorbed molecule, increas

247 ly localized at the silicon(II) atom and the LUMO has mainly boron 2p character.

248 ng that the energy gaps between SWNT and the LUMO of acceptor molecules dictate the ET process.

249 tion of the LUMO of the nanocrystals and the LUMO of Cd(O2CPh)2, as opposed to originating from a cha

250 the pi orbital of the forming cation and the LUMO of DDQ.

251 a nearly linear (thio)cyanate anion and the LUMO of the acyl cation, in particular the acyl C horizo

252 unoccupied molecular orbital (LUMO) and the LUMO+1 levels in C(60), respectively.

253 e air-stability is not well predicted by the LUMO level of these n-type MOFs but instead is additiona

254 e optically relevant fragments; however, the LUMO is decreased to a greater extent, thereby giving ri

255 altered without significantly impacting the LUMO level.

256 ic rings are shown to dramatically lower the LUMO energy level of the carboxonium electrophile (compa

257 iscovered that it is preferable to lower the LUMO energy of quinoline through protonation by Hantzsch

258 Electron-withdrawing groups lower the LUMO+1 of tetrazines, resulting in stronger interactions

259 atory insertion barrier by both lowering the LUMO energy and enabling a less-strained six-membered co

260 ackbone while also dramatically lowering the LUMO energy.

261 ical bandgap, but only marginally lowers the LUMO for n > 4.

262 is traced to the number and symmetry of the LUMO and LUMO+1 of the heterocyclic diimine ligands.

263 over, the difference between energies of the LUMO and the HOMO of the electrolyte, i.e., electrolyte

264 olecular charge transfer and lowering of the LUMO energy level.

265 ltammetry revealed a gradual decrease of the LUMO energy levels with increasing chain length, while a

266 the Si-C bond, based on the character of the LUMO of (PNP)Ni(+).

267 the improved energetic accessibility of the LUMO of the heavier group 13 element multiple bond in co

268 ates that are formed from interaction of the LUMO of the nanocrystals and the LUMO of Cd(O2CPh)2, as

269 the HOMO and a decrease in the energy of the LUMO were observed upon extending the conjugation.

270 3-7 exhibit substantial stabilization of the LUMO with the increase in acceptor strength, which resul

271 ascribed to the difference in energy of the LUMO within the carbenes (cAAC/NHC) due to a lower lying

272 bed that provides a useful assessment of the LUMO-lowering provided by catalysts in Diels-Alder and F

273 delocalization and raising the energy of the LUMO.

274 acial states without the need to rely on the LUMO and HOMO energies as estimated in pristine material

275 getic ordering of the HOMO-1 and HOMO or the LUMO and LUMO+1 of pyrene, respectively.

276 center with O or gold(I) further reduced the LUMO energy to ca. -3.6 eV.

277 f a nitro group significantly stabilizes the LUMO, and hence lowers Ueff, the effective Coulombic bar

278 e most reactive, and this indicated that the LUMO of the iminoisocyanate is reacting with the HOMO of

279 istance conduction solely occurs through the LUMO band.

280 allowing superexchange coupling through the LUMO.

281 citation of an electron from the HOMO to the LUMO of the chromophore, accompanied by elongation of th

282 rs from the conduction band of the QD to the LUMO of V(2+) after photoexcitation of a band-edge excit

283 e relevance of the sensor blue-shifts to the LUMO-lowering abilities of the H-bonding catalysts is di

284 s and the maximum VOC are plotted versus the LUMO energy of the acceptor organic molecule, volcano-sh

285 on the piSi horizontal lineP bond, while the LUMO is located at the carbene moiety (cAAC or NHC).

286 calized on the thiophene fragment, while the LUMO level electron density is mostly associated with th

287 d by increasing the donor strength while the LUMO level remains similar, resulting in optical bandgap

288 ws a relatively small HOMO/LUMO gap with the LUMO comprised by Fe(dxz,yz)N(px,y) pi*-orbitals, a spli

289 ectrophilicities E correlate poorly with the LUMO energies and with Parr's electrophilicity index ome

290 gies of the HOMO and LUMO orbitals, with the LUMO orbital of both complexes located on the Dipp rings

291 The LUMOs envelop the surfaces of these structures, suggesti

292 port a correlation between the energy of the LUMOs and the regioisomeric product ratio.

293 vertical bisethynylbenzene axes, while their LUMOs remain relatively delocalized across the molecule,

294 nt-stable boron-doped PAHs (corresponding to LUMO energy levels as low as fullerenes).

295 polymer band gaps are narrowed mainly due to LUMO energy level stabilization.

296 l gap materials owing to a forbidden HOMO to LUMO transition, yet have narrow electrochemical gaps an

297 Good correlations of reduction potentials to LUMO energies and oxidation potentials to HOMO energies

298 han the offset between the corresponding two LUMO levels when the donor is excited.

299 er, we use different fullerenes with varying LUMO levels as electron acceptors, in order to vary the

300 turnover limiting reductive elimination via LUMO lowering.