ライフサイエンスコーパス: LUMO

1 (2d) exhibits donor-acceptor character and a LUMO energy level of -3.27 eV relative to vacuum.

2 localized at the silicon center and depict a LUMO with predominant silicon p-orbital character.

3 is(mesitylethynyl)anthracene (6b) displays a LUMO energy level of -3.50 eV, which approaches the valu

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 tructure of this complex reveals that the a1 LUMO (formerly Fe(dz2)) is strongly stabilized by reduce

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

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

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

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

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

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

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

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

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

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

17 as electronic properties including HOMO and LUMO energy levels.

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

19 The HOMO and LUMO of tetraphenylcyclopentadienone appear to be associ

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

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

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

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

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

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 heir HOMOs range from -4.9 eV to -5.6 eV and LUMOs range from -2.8 eV to -3.7 eV, as measured by cycl

34 rgy levels and the distribution of HOMOs and LUMOs of fullerene-terminated OPEs have been calculated

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

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

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

38 le semiconductors is principally governed by LUMO energetics with minimal contribution from thin-film

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

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

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

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

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

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

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

46 ectron transfer to a more highly delocalized LUMO.

47 The experimentally determined LUMO energy levels (-2.7 to -3.3 eV as determined by dif

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

49 triphenylphosphine HOMO at the electrophilic LUMO of the iron nitrido complex.

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

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

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

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

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

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

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

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

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

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 and 16; this shoulder is assigned to a HOMO-LUMO transition from the dithiole to the fluorene unit.

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

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 level while optical and electrochemical HOMO-LUMO gaps were measured experimentally.

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

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

75 In addition, the 1.62 eV HOMO-LUMO gap of 20 is the smallest of the examined compounds

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

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

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

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

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

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

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

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 ging hydrogen atoms and has the largest HOMO-LUMO gap (1.9 eV) of all the alanes we studied.

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

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

91 This molecule has a low HOMO-LUMO gap of 1.75 eV in o-DCB and an optical band gap of

92 tadienone, due to its intrinsically low HOMO-LUMO gap, has been suggested as a valuable repeat unit i

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

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

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

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

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

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

99 of the oligomer, indicating a narrower HOMO-LUMO gap.

100 erene cage and a narrow distribution of HOMO-LUMO energy gaps.

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

102 first time a quantitative assessment of HOMO-LUMO gaps and photooxidative resistances for a large ser

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

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

105 alogues that is indicative of a reduced HOMO-LUMO gap.

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 It possesses a small HOMO-LUMO gap of 1.37 eV.

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

113 hotooxidation, possess relatively small HOMO-LUMO gaps and are highly soluble in a variety of organic

114 cenes like TIPS-pentacene possess small HOMO-LUMO gaps but are not the longest lived species under ph

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

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

117 lecules tend to have a slightly smaller HOMO-LUMO gap and a lower LUMO level than the fluoro-containi

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

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

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

121 Structures, HOMO-LUMO energies and associated gaps were calculated at the

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

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

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

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

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

127 ations on simple models showed that the HOMO-LUMO energy gap decreases as the imido bridges in MeGe(m

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

146 UMO of the molecule and omega(X) is the HOMO-LUMO gap of the free molecule.

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

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

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

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

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

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

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

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

155 the surface Au atoms and increasing the HOMO-LUMO gap.

156 t show significant stabilization of the HOMO-LUMO gaps (such as those that readily accept pi-backbond

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

158 the central unit of 6, 14 and 16 on the HOMO-LUMO levels and electron transport through the molecules

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

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

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

162 functional theory calculations of their HOMO-LUMO gaps.

163 to be E(g) approximately 2.15 eV; this HOMO-LUMO gap is remarkably larger than that of Au(25)(SR)(18

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

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

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

167 transport prevails when molecules have HOMO/ LUMO levels within the aforementioned range.

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

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

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

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

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

173 By tuning the HOMO/LUMO energetics of the present materials over a 1.1 eV r

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

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

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

177 etal and the lowest unoccupied energy level (LUMO) of the molecule.

178 ished donor-acceptor polymers with localized LUMO and delocalized HOMO.

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

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

181 roperties, since they possess relatively low LUMO energy levels of -3.3 to -3.6 eV (as determined by

182 roperties, since they possess relatively low LUMO energy levels.

183 a slightly smaller HOMO-LUMO gap and a lower LUMO level than the fluoro-containing molecules, both fr

184 narrower band gaps and to drastically lower LUMO energies.

185 he four oxygen atoms, which results in lower LUMO energy, the higher positive charge at the carbenic

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

207 The onset LUMO energy for carrier electron stabilization is estima

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

209 on that often arises is whether the HOMOs or LUMOs of D, B, and A within D+*-B-A-* are primarily invo

210 in a low-lying Fe nitrido acceptor orbital (LUMO) that possesses electrophilic character.

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

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

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

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

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

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

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

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

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

220 hat the lowest unoccupied molecular orbital (LUMO) for the superelectrophile is about 4 eV lower in e

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

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

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

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

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

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

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

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

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

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

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

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

233 the interaction between the heterocycle pi* (LUMO) and PdL(2) HOMO.

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

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

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

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

238 the formation of an ideal geometry for SOMO-LUMO overlap.

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

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

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

242 The LUMO level of Mo(tfd)(3) is calculated to be delocalized

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

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

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

246 thienylcarboxylate pi* combinations, and the LUMO is an in-phase combination of the thienylcarboxylat

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

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

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

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

251 energy between the HOMO of the metal and the LUMO of the molecule and omega(X) is the HOMO-LUMO gap o

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

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

254 altered without significantly impacting the LUMO level.

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

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

257 ctron-withdrawing halogen groups lowered the LUMO and the charge injection barrier for electrons, suc

258 ackbone while also dramatically lowering the LUMO energy.

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

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

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

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

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

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

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

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

267 3-7 exhibit substantial stabilization of the LUMO with the increase in acceptor strength, which resul

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

269 owers the energy of the HOMO (but not of the LUMO), leading to a blue-shifted emission.

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

271 delocalization and raising the energy of the LUMO.

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

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

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

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

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

277 istance conduction solely occurs through the LUMO band.

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

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

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

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

282 tron injection and transport occurs when the LUMO < -3.15 eV, while hole injection and transport ceas

283 imparts a localized HOMO topology while the LUMO is delocalized over the polymer backbone, so that t

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

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

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

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

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

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

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

291 (albeit relatively minor) population of the LUMOs of the GaI molecule through pi overlap with the HO

292 phile is about 4 eV lower in energy than the LUMOs of comparable monocations.

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

294 Given that this LUMO has 3-D symmetry, it appears that all of the stilbe

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 ntibonding linear combination forms a unique LUMO.

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