ライフサイエンスコーパス: electron affinity

1 cts to, organic semiconductors with very low electron affinity.

2 basis sets in an effort to bracket the true electron affinity.

3 al structure of Au(20), which has a very low electron affinity.

4 es low enough to localize in regions of high electron affinity.

5 combination of the surface band bending and electron affinity.

6 in localized absorption maxima and increased electron affinities.

7 potentials and associated high excited-state electron affinities.

8 with experimental ionization potentials and electron affinities.

9 t a comprehensive tabulation of experimental electron affinities.

10 ated versus experiment for the prediction of electron affinities.

11 ecule opposingly pairs negative and positive electron affinities.

12 ized by choosing specific ligands with large electron affinities.

13 This value is an enormous increase over the electron affinity (0.60 eV) of the closed-shell G-C base

14 The calculated electron affinities, 0.41 eV (n = 0), 1.51 eV (n = 1), 1

15 G and A have lower electron affinity (1.8-2.2 eV), blocking electrons but a

16 C, T, and U have higher electron affinities (2.6-3.0 eV), transporting electrons

17 ds to the radical with the largest adiabatic electron affinity, 3.65 eV.

18 The "electron affinity/acidity/CBS" cycle yields Delta(f)H(29

19 The adiabatic electron affinity (AEA) for the Watson-Crick guanine-cyt

20 rous model heme energies yields an adiabatic electron affinity (AEA) of 5.24 eV, and the low-spin AEA

21 Adiabatic electron affinities (AEAs) for the DNA and RNA bases are

22 The adiabatic electron affinities (AEAs), vertical electron affinities

23 Solid-state electron affinities and ionization potentials of these s

24 nHn+2 (5 <or= n <or= 8) have small adiabatic electron affinities and large HOMO-LUMO gaps (ranging fr

25 Very high electron affinities and large HOMO-LUMO gaps are observe

26 yield similar spectra, both possessing lower electron affinities and larger HOMO-LUMO gaps relative t

27 Here we show that beyond differences in electron affinities and polar effects, a key parameter d

28 is supported by the theoretically calculated electron affinities and reduction potentials of [-P-S-S-

29 PPCN2Vs, with their high electron affinities and structural versatility, seem ide

30 The measured electron affinities and the energy gaps are compared wit

31 The ground-state bands yield electron affinities and vibrational frequencies for seve

32 closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potentia

33 ibutions, electronic absorption spectra, and electron affinity and compared with the results for rela

34 rated to correlate to the combination of the electron affinity and electronegativity of doping elemen

35 Oligomers of TDO were designed to increase electron affinity and maintain delocalized frontier orbi

36 rties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are

37 to GaAs (100) results in changes of both the electron affinity and surface potential of the semicondu

38 inity is negatively correlated with compound electron affinity and the number of hydrogen bond donors

39 halpies of formation, basicities, proton and electron affinities, and adiabatic ionization enthalpies

40 halpies of formation, ionization potentials, electron affinities, and band gaps of finite-length [5,5

41 Acidities, electron affinities, and bond dissociation energies are

42 The optimized geometries, adiabatic electron affinities, and IR-active vibrational frequenci

43 issociation energies, ionization potentials, electron affinities, and spin multiplicities across the

44 n heats of formation, ionization potentials, electron affinities, and total atomic energies [over the

45 s have a planar structure, a reasonably high electron affinity, and a rigid and extended delocalized

46 Hexachlorocyclohexadienone has a significant electron affinity, and its radical anion expels chloride

47 These electron affinities are as much as 0.4 eV higher than th

48 The electron affinities are compared to PCBM, a C(60) based

49 with the ligands F, BO(2), and AuF(6), whose electron affinities are progressively higher (3.4, 4.5,

50 Bond energies, acidities, and electron affinities are related in a thermodynamic cycle

51 ar n-dopants suitable for materials with low electron affinity are still elusive.

52 r n-doping electron-transport materials with electron affinities as small as 2.8 eV.

53 Both the model and the data suggest that electron affinities associated with the anionic reagents

54 Theoretical evaluation of the electron affinities, basicities, and H-atom transfer kin

55 for the quantity bond dissociation energy - electron affinity (BDE - EA) estimated to be 0.6 and 1.0

56 es for calculating ionization potentials and electron affinities, but fails for solids due to the ext

57 ed to increase the ionization potentials and electron affinities by approximately 1 eV, which is expe

58 uence fused to cyclopentadiene increases the electron affinity by 0.15-0.65 eV: the most reliable pre

59 tems using adiabatic ionization energies and electron affinities calculated from neutral and cation g

60 ment from the constituent work functions and electron affinities can enhance device functionality.

61 made of the geometric parameters, adiabatic electron affinities, charge distributions based on natur

62 rs display appealing properties such as high electron affinity, charge-transport upon n-doping, and o

63 However, the ionization potential, electron affinity, chemical hardness, and relative energ

64 low ionization energy Co6Te8(PEt3)6 and high electron affinity Co6Te8(CO)6 have closed electronic she

65 ich is even greater than that of C60, and an electron affinity comparable with that of C60.

66 th substrates, due to a substantially larger electron affinity compared with the iron(IV)-oxo species

67 y, optical data and ionization potential and electron affinity data were utilized to estimate the bin

68 This porphyrin-like complex has a high electron affinity [E1/2 (red.) approximately = -0.08 V v

69 trochemical measurements we determined their electron affinity EA = -4.8 eV, indicating the possibili

70 t the expected exponential dependence on the electron affinity EA is evident only vaguely.

71 ive ion photoelectron spectroscopy to obtain electron affinities (EA) and tandem flowing afterglow-se

72 icals (with the greatest calculated vertical electron affinities (EA) at the radical site) also react

73 n efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals.

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

75 A plot of electron affinity (EA) and ionization potential (IP) ver

76 From the NIPE spectra, the electron affinity (EA) and the singlet-triplet energy ga

77 ined for AlB(6)(-), resulting in an accurate electron affinity (EA) for AlB(6) of 2.49 +/- 0.03 eV.

78 ce dependence of silicon substitution on the electron affinity (EA) of carbon radicals has been studi

79 rder a > b > c, which is consistent with the electron affinity (EA) ordering of the radicals.

80 ppropriate redox (ionization potential (IP), electron affinity (EA)), electronic (charge carrier mobi

81 sfer dissociation (ETD) of doubly protonated electron affinity (EA)-tuned peptides were studied to fu

82 which can be characterized by the radical's electron affinity (EA).

83 to its neutral counterpart having a negative electron affinity (EA).

84 radiation was used to measure the adiabatic electron affinities: EA[CH(3)OO, X(2)A' '] = 1.161 +/- 0

85 d shell with large HOMO-LUMO gaps, and their electron affinities (EAs) are measured to be 3.33 and 3.

86 hreshold spectra we are able to reassign the electron affinities (EAs) of cis- and trans-HOCO to 1.51

87 Direct experimental determination of precise electron affinities (EAs) of lanthanides is a longstandi

88 Electron affinities (EAs) of the corresponding lactone e

89 Adiabatic electron affinities (EAs) of the thiolate monoradicals o

90 ential step exhibits properties analogous to electron affinity effects.

91 We propose that radicals with high electron affinity elicit arene-to-radical charge transfe

92 ly predicts a substantial positive adiabatic electron affinity for the GC pair (e.g., TZ2P++/B3LYP: +

93 The predicted electron affinities form a remarkably regular sequence:

94 The predicted electron affinities form a remarkably regular sequence:

95 hat are air stable and capable of doping low-electron-affinity host materials in organic devices.

96 Furthermore, we calculate adiabatic electron affinities in aqueous solvent for CO(2), Py, an

97 The zero-point corrected adiabatic electron affinities in eV for each of the 2'-deoxyribonu

98 unctional theory calculations, which predict electron affinities in the 2.8-2.4 eV range for the (H(2

99 ecrease in ionization energy and increase in electron affinity in the solid state are related to the

100 The electron affinities increase with expanding ring size un

101 s to use adiabatic ionization potentials and electron affinities instead of vertical potentials and a

102 Its low electron affinity is consistent with filled subshell and

103 substrate and the grafted molecules, whereas electron affinity is dependent on the dipole moment of t

104 l3CN- is observed, and a lower limit for its electron affinity is estimated to be 0.3 eV.

105 The increase in electron affinity is larger for electron-rich quinones t

106 Provided the electron affinity is not too high, the Franck-Condon fac

107 ted excess electron is found to reside in an electron affinity level residing near the metal surface.

108 In the high temperature regime, the electron affinity level solvates by 540 meV at 350 K, an

109 -1.39 to -1.58 V (versus SCE) and estimated electron affinities (LUMO levels) of 2.90-3.10 eV.

110 followed by electron transfer to the higher electron affinity material (acceptor) [i.e., photoinduce

111 is indicative of diamondoids being negative electron affinity materials.

112 so consistent with the positive experimental electron affinities obtained by photoelectron spectrosco

113 The electron affinities of (EC)nLi+(VC) (n = 0-3) monotonica

114 s set limit were used to calculate the first electron affinities of Al(n)(), n = 0-4.

115 Analysis of the spectra provides electron affinities of CH(3) (0.093(3) eV) and CD(3) (0.

116 The adiabatic electron affinities of cyclopentadiene and 10 associated

117 finities of all three radical anions and the electron affinities of o- and m-benzoquinone.

118 Electron affinities of o- and p-quinoniminyl radicals ar

119 arying the degree of pi-conjugation or using electron affinities of the aryl cores which include fluo

120 atic ionization potentials of the anions and electron affinities of the cations, enable reliable stab

121 As the difference between the electron affinities of the co-monomers in the repeating

122 ments suggest that a large difference in the electron affinities of the co-monomers of the polymers c

123 Predicted electron affinities of the hydrocarbon radicals using th

124 Analogous electron affinities of the perflurocarbon radicals are 2

125 Like the PAHs, the electron affinities of the present systems generally inc

126 s the calculated (B3LYP/6-31+G(d)) adiabatic electron affinities of the radical model systems (ammoni

127 ity trends match the trend in the calculated electron affinities of the radicals.

128 The adiabatic electron affinities of the supermolecule Li(+)(EC)n (n =

129 rent terminal groups that correlate with the electron affinities of these groups were observed.

130 e, with separated six-membered rings, has an electron affinity of -0.07 eV.

131 have a zero-point energy corrected adiabatic electron affinity of 0.13 eV.

132 nt energy of 2.38 eV, but a modest adiabatic electron affinity of 0.33 eV.

133 An experimental measurement of the electron affinity of 1-phenylcyclopropyl radical (EA = 1

134 The electron affinity of 3,3-dimethylcyclopropenyl radical (

135 The electron affinity of 3-tert-butyl-1-bicyclo[1.1.1]pentyl

136 The last two measurements, the electron affinity of 5-chloro-m-benzyne, and the thresho

137 states with the CCSD(T) values of adiabatic electron affinity of 65 and 36 meV, respectively.

138 trum of the (CO)5(*-) radical anion gives an electron affinity of EA = 3.830 eV for formation of the

139 DCCCD- photoelectron spectra, we measure the electron affinity of HCCCH to be 1.156 +/- (0.095)(0.010

140 The adiabatic electron affinity of its quasi-bound (3)Sigma(g)(-) stat

141 The electron affinity of MBQ is determined from the first re

142 loss (0.83 +/- 0.07 eV) is combined with the electron affinity of the 5-chloromethyl-m-xylylene birad

143 zation potential of the donor (I(D)) and the electron affinity of the acceptor (E(A)).

144 pared to investigate the effect of increased electron affinity of the aromatic system on the ability

145 uantity DeltaD/DeltaE0,0 correlates with the electron affinity of the bases (G < A < C < U approximat

146 ituent is obtained from its influence on the electron affinity of the charged radical, as the calcula

147 rrection for a small systematic error in the electron affinity of the chlorine atom, theoretical pred

148 The electron affinity of the compound, determined via invers

149 e particles' high defect density and the low electron affinity of the diamond surface.

150 l characteristics of the ISP, likely through electron affinity of the interacting atom and the geomet

151 rature photoelectron spectroscopy showed the electron affinity of the major isomer (shown) exceeds th

152 and bulk properties, we set out to vary the electron affinity of the molecular backbone.

153 nitrated peptides is inhibited by the large electron affinity of the nitro group, while CID efficien

154 iple fullerenes was observed to increase the electron affinity of the overall cluster, providing a no

155 molecules is governed by competition between electron affinity of the physisorbed (triplet) O2 and ba

156 The presence of the donor enhances the electron affinity of the quinone.

157 The larger the electron affinity of the radical, the higher the overall

158 The theoretical electron affinity of the resulting molecule, isoindene,

159 band gap while para substitution raises the electron affinity of the system.

160 The electron affinity of the uracil radical is measured accu

161 his trapping is associated with the negative electron affinity of these materials and is unusual as t

162 SIMS appeared strongly dependent on the high electron affinity of this specific analyte and the analy

163 d a value of EA = 4.025 +/- 0.010 eV for the electron affinity of TOTMB.

164 ts suggest that an estimate of the adiabatic electron affinity of water could be obtained from measur

165 Adiabatic electron affinities, optimized molecular geometries, and

166 The rates did not correlate well with electron affinities or dissociation energies obtained by

167 curate enthalpies of formation and adiabatic electron affinities or ionization potentials for N3, N3-

168 on electrodes, except for a few special high-electron-affinity or low-bandgap organic semiconductors.

169 nd rutile with anatase possessing the higher electron affinity, or work function.

170 ethane-1,2-dithiolene] (Mo(tfd)(3)), a high electron-affinity organometallic complex that constitute

171 Its characterization includes its electron affinity, photoelectron spectrum, and the previ

172 eparated ion pairs, M(+)1, possessing larger electron affinities (q/r), and associated with larger k(

173 Relative energies, adiabatic electron affinities (ranging from 1.93 to 3.65 eV), and

174 ow that, under these conditions, the highest electron affinity replaces the traditional lowest total

175 The predicted electron affinities show that only the cyclopropyl radic

176 Ranking according to the substrate's electron affinity shows that inhibition is manifested fo

177 alytes of lower gas-phase basicity or higher electron affinity than O2.

178 Additionally, Lu3N@PC80BEH has a lower electron affinity than standard fullerenes, which can ra

179 er can also be reduced by decreasing the ZnO electron affinity through Mg incorporation, leading to l

180 one, which has a sufficiently large solution electron affinity to extract an electron from the solven

181 gh charge transport control, following their electron affinity trend: G < A < C < T < U.

182 Instead, the rates reflect the radicals' electron affinities used as a measure for their ability

183 ion energies or electron acceptors with high electron affinities usually requires changing the valenc

184 Furthermore, dramatic increases in adiabatic electron affinity values observed at n = 10 for the Ln(I

185 iabatic electron affinities (AEAs), vertical electron affinities (VEAs), and vertical detachment ener

186 The optimized geometries, adiabatic electron affinities, vertical electron affinities, verti

187 ies, adiabatic electron affinities, vertical electron affinities, vertical electron detachment energi

188 The direct IPES measurements of electron affinity were then used to assess alternative e

189 of a low-lying LUMO in 3a gives rise to high electron affinity which, in turn, creates an electronica

190 g substituent tailorability, and appropriate electron affinity with gratifying results.

191 the four molecules are correlated with their electron affinities, with the trifluoroacetamide group a