ライフサイエンスコーパス: unpaired electron

1 ce if the quantum dot in the SET contains an unpaired electron.

2 protons at these positions interact with the unpaired electron.

3 e air- and moisture-stable and have only one unpaired electron.

4 ordinated Si(I) atoms has a lone pair and an unpaired electron.

5 tion of the metal-centered, optically active unpaired electron.

6 characterize the spatial distribution of its unpaired electron.

7 tes a weak ferromagnetic coupling of the two unpaired electrons.

8 enes is most affected by the presence of the unpaired electrons.

9 in THF; they are high-spin species with four unpaired electrons.

10 )H(5))(2)Cr) are low-spin compounds with two unpaired electrons.

11 raction as well as phosphorescence from five unpaired electrons.

12 ntum bits, storing phase information through unpaired electrons.

13 ramagnetic susceptibility, despite having no unpaired electrons.

14 s lower in energy than triplet FeF2 with two unpaired electrons.

15 tion of a biradical with largely independent unpaired electrons.

16 requires open-shell d(n) configurations with unpaired electrons.

17 to one metal centre with a limited number of unpaired electrons.

18 tal binding tag permitted the measurement of unpaired electron-amide proton distances using paramagne

19 idual dipolar couplings, dipolar shifts, and unpaired electron-amide proton distances.

20 s triangles confirm the selective sharing of unpaired electrons among adjacent redox-active NDI subun

21 ated that is dependent on the presence of an unpaired electron and donor ligands in the uranyl valenc

22 ong donor-acceptor stabilization between the unpaired electron and O-H sigma* orbitals on a nearby wa

23 te at higher applied potentials possesses an unpaired electron and therefore should be EPR-active; ho

24 B and NdB clusters are found to have similar unpaired electrons and magnetic moments as their isovale

25 anistically takes place at ~1 K and requires unpaired electrons and microwaves.

26 interaction between the magnetic momentum of unpaired electrons and nuclear spins.

27 RE), which is sensitive to distances between unpaired electrons and nuclei.

28 charge transfer (CT), which delocalizes the unpaired electrons and thus lowers the exchange stabiliz

29 nt with high-spin Co(2+) ions carrying three unpaired electrons and with an additional significant un

30 d by anisotropic hyperfine coupling between (unpaired) electron and nuclear spins.

31 ground state in which one ruthenium has two unpaired electrons antiparallel to those of the other ru

32 The location of unpaired electrons (approximately 40 unpaired electrons

33 ike typical biradicals and polyradicals, the unpaired electrons are all on the same center.

34 X-ray crystallography suggests that the unpaired electrons are delocalized in each case across t

35 The unpaired electrons are distributed almost evenly over th

36 c resonance data show unambiguously that the unpaired electrons are in metal-based molecular orbitals

37 Above 140 K, the unpaired electrons are localized in the nonsuperimposed

38 In the paramagnetic state, the unpaired electrons are located in the exterior phenaleny

39 tailed simulations, which indicated that the unpaired electrons are mostly located in the disordered

40 elected by spectral editing, showed that the unpaired electrons are not dangling bonds at the surface

41 ow 140 K is a singlet state in which the SBP unpaired electrons are partially localized in the superi

42 saturation (M(sat)) indicate that 60-80% of unpaired electrons are present at T = 1.8-5 K.

43 effectively like S-state atoms because their unpaired electrons are shielded by two outer filled elec

44 radical ions carrying Li+ charge(s) and one unpaired electron at an alpha-C atom of the peptide back

45 ne splitting between the C3 hydrogen and the unpaired electron at C2 shows the dihedral angle to be 6

46 Triplet vinylidenes, however, featuring two unpaired electrons at a monosubstituted carbon atom are

47 y observed antiferromagnetic coupling of the unpaired electrons at the metal centers.

48 ctures of Fe(O) and Fe(OH) are such that the unpaired electrons at the two sites delocalize into orth

49 moments are consistent with approximately 4 unpaired electrons attributed to [MnSb4](9-), indicating

50 ism is not normally associated with a single unpaired electron, but with a 1S(1) magic number, the va

51 We find that the local geometry around the unpaired electron can change the DNP enhancement by an o

52 spin system consists of the strongly coupled unpaired electrons confined to (3*)PDI, which are each w

53 Pr(II) [eta(7) -B7(3-) ] complex with three unpaired electrons, corresponding to a Pr (4f(2) 6s(1) )

54 s, because the Mn oxidation states and total unpaired electron counts encoded in these models are not

55 The unpaired electron delocalization within the designed ext

56 est formulated as a Ni(III) complex with one unpaired electron delocalized in the ligands surrounding

57 elongated Fe-N bond which, together with the unpaired electron density along the Fe-N bond vector, he

58 opening, disfavoring mechanisms that involve unpaired electron density at C3 of the indole ring.

59 Localized unpaired electron density causes the 4a" state to be the

60 R spectroscopy reveal that delocalization of unpaired electron density into the cyanide pai* orbitals

61 Structural data and DFT calculations suggest unpaired electron density is strongly delocalized onto t

62 ENDOR was a direct probe of the unpaired electron density on the nitrogen of NO and, as

63 enerate and show extensive delocalization of unpaired electron density over spatially remote groups.

64 We also use the unpaired electron density to analyze the superexchange c

65 he presence of significant yttrium-localized unpaired electron density.

66 ller distortion) in the solid state with the unpaired electron either located in the b(1) orbital (ty

67 ents relies on understanding how the spin of unpaired electrons exchanges energy with their environme

68 elds the anion radical (PhNCO(*-)) where the unpaired electron exhibits coupling to one nitrogen and

69 ybridized structures, and the possibility of unpaired electrons from defects induced upon hydrogenati

70 m, in which the HO(2) molecules and the free unpaired electrons from the ferrimagnetic solids are con

71 The dianion diradical has one unpaired electron in a primary and one in a secondary ri

72 dical is a ((2)E) state with its antibonding unpaired electron in an orbital doublet, which renders R

73 However, the unpaired electron in compound 4 mainly resides throughou

74 rformed in this work shows that although the unpaired electron in low-spin ferrihemes containing a RO

75 ic resonance studies have indicated that the unpaired electron in P700+ is delocalized asymmetrically

76 Delocalization of the unpaired electron in pai-conjugated radicals has profoun

77 , and computational studies revealed that an unpaired electron in radical species 1(*-)*K(+) and 3 is

78 The spin density distribution of the unpaired electron in the cation radical state of the dim

79 The unpaired electron in the CiOi(+) state is mainly localiz

80 me origin and is due to detaching the single unpaired electron in the HOMO, mainly of Mo 4d character

81 shape arises due to the spin coupling of the unpaired electron in the partially vacant pai orbital (f

82 tadeuterated AA (d(8)-AA) confirmed that the unpaired electron in the pentadienyl radical is delocali

83 AS-2SF) reveal the presence of less than one unpaired electron in the planar molecules.

84 The unpaired electron in this molecule is delocalized over t

85 ectronic structure changes so that from four unpaired electrons in 1 there is only one in 2.

86 Whereas three unpaired electrons in 2 occupy orbitals with essentially

87 enes as purely organic qubits comprising two unpaired electrons in close proximity that can be genera

88 rule is proposed to estimate the numbers of unpaired electrons in diatomic LnB clusters.

89 Moreover, Eu(3+) possesses 6 unpaired electrons in its f orbital, which makes it para

90 an accurate and efficient technique to probe unpaired electrons in many applications across materials

91 The consequence of unpaired electrons in organic molecules has fascinated a

92 MR) spectroscopy transfers polarization from unpaired electrons in polarizing agents to nuclei of int

93 arization is developed on species that carry unpaired electrons in the early electron transfer steps,

94 The existence of unpaired electrons in the four heme groups of deoxy and

95 t predict negligible interaction between the unpaired electrons in the high-spin triradical.

96 not directly change the spin orientation of unpaired electrons in the material.

97 that the resonance stabilization of the two unpaired electrons in triplet O2, relative to the unpair

98 red electrons in triplet O2, relative to the unpaired electrons in two hydroxyl radicals, amounts to

99 (5)-C(78) shows a doublet as expected for an unpaired electron interacting with Y, and a SQUID magnet

100 for alkyloximes due to delocalization of the unpaired electron into the aromatic ring have always bee

101 In compound 2, the unpaired electron is also partly delocalized over the CA

102 pi-pi interaction of Tyr-24 and His-20, the unpaired electron is apparently delocalized on both the

103 SL), a nitroxide moiety containing a stable, unpaired electron is covalently attached to a specific s

104 DFT calculations show that the unpaired electron is delocalized in the low pH form and

105 als a paramagnetic intermediate in which the unpaired electron is delocalized over the heterocycle an

106 K(THF)(3)[V(2)(DPhF)(4)], indicates that the unpaired electron is delocalized over the two vanadium a

107 has a d(10) electronic configuration and the unpaired electron is delocalized over two carbene carbon

108 eory to the "separated"ion pair in which the unpaired electron is equally delocalized between both NO

109 isc-shaped hydrocarbon molecule in which the unpaired electron is extensively delocalized.

110 It has been speculated that the unpaired electron is in a pi delocalized porphyrin radic

111 adical monoanions Xn-Hex(*-) reveal that the unpaired electron is largely localized on a single PI un

112 e equator on the fullerene cage and that the unpaired electron is localized in a bonding orbital betw

113 ic of a classical organic free radical whose unpaired electron is localized in the 2ppai orbital of t

114 pared with [2-13C]ethanolamine show that the unpaired electron is localized on C1 (the carbinol carbo

115 ompanying DFT calculations indicate that the unpaired electron is localized on the cobalt center.

116 s the formation of radical species where the unpaired electron is localized on the organic moiety bou

117 The DFT studies suggest that the unpaired electron is localized primarily in a dinitrogen

118 tributions of the GC anion indicate that the unpaired electron is localized primarily on the cytosine

119 DFT calculations also indicated that the unpaired electron is mostly localized on the imide nitro

120 iphenyl isocyanurate anion radical where the unpaired electron is predominately localized in one of t

121 en-shell cationic B(12) cluster in which the unpaired electron is proposed to be delocalized througho

122 framework along with the totally delocalized unpaired electron is responsible for the surprising iner

123 valence di-iron II/III species, in which the unpaired electron is shared equally between the two iron

124 The otherwise highly reactive unpaired electron is stabilized via an unknown mechanism

125 and 4) are electronically localized and the unpaired electron is trapped on one [Mo(2)] unit.

126 itroxide probe containing a chemically inert unpaired electron is utilized to obtain information on t

127 switch between redox states with paired and unpaired electrons is important for molecular electronic

128 For instance, triplet FeF2 with four unpaired electrons is lower in energy than triplet FeF2

129 n electronic configuration with more than 2S unpaired electrons is more stable than the configuration

130 .9 and 10.9 GHz) from the interaction of the unpaired electron localized at C2 of the product radical

131 cyclohexadienyl resonance structure with the unpaired electron localized on the oxygen substituent.

132 tate because the open-shell singlet with the unpaired electrons localized in the nonsuperimposed PLYs

133 ile electrons to compensate for the spins of unpaired electrons localized on impurity atoms.

134 riplet, Ni(II)-metallophosphinidene with two unpaired electrons localized on the atomic phosphorus li

135 ed that (3)1N is a triplet vinylnitrene with unpaired electrons localized on the C=C-N moiety; decayi

136 lar as well as dipole-dipole coupling to the unpaired electron located at C1 of S-2-aminopropanol.

137 proximately 2.0055, which corresponded to an unpaired electron located in the pyrylium ring.

138 a low-spin (S = 1/2) Co(IV) species with the unpaired electron located on the cobalt d(z2) orbital, w

139 5) + hole configuration that results in four unpaired electrons measured in the ferromagnetically ord

140 DFT computations reveal that the unpaired electron of rhodium(IV) nitride complex [Rh(N){

141 ted to calculate the separations between the unpaired electron of the nitroxyl group and isotopically

142 etermined electron-proton distances from the unpaired electron of the nitroxyl group of the spin-labe

143 In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proto

144 er that of the neutral counterpart, with the unpaired electrons of Bt being stabilized by the geminal

145 Polarization was transferred from the unpaired electrons of nitroxide free radicals to nuclear

146 The molecular radicals, systems with unpaired electrons of open-shell electronic structures,

147 are shown to consist of two strongly coupled unpaired electrons of opposite spin, one in a superoxo p

148 ted spin densities of the quartet state show unpaired electrons of rho ~ 1 on the TTM-Cz donor and of

149 rises from exchange interactions between the unpaired electrons of the adsorbed radicals and conducti

150 e or absence of a C-C sigma-bond between the unpaired electrons of the parent radical.

151 as resulting from bond formation between the unpaired electrons of the radical ions A*- and D*+.

152 3*)PDI, which are each weakly coupled to the unpaired electron on (2)BPNO(*) to form excited doublet

153 This model indicates that the unpaired electron on C1 of the substrate radical and C5'

154 ses a singlet biradical ground state with an unpaired electron on each carbene C atom having opposite

155 The unpaired electron on NO makes it highly reactive and its

156 r optical properties are mainly driven by an unpaired electron on the carbon p orbital.

157 I)Mn revealed that this complex possesses an unpaired electron on the metal center, rendering it like

158 species, with about 70% localization of the unpaired electron on the NR(2) unit.

159 The unpaired electrons on each cluster in Re(6)Se(8)(NMF)(2-

160 ftability was most impacted by the number of unpaired electrons on Ln(3+), negative charge on LnChe(n

161 Both clusters possess unpaired electrons on Mo atoms.

162 The effects of unpaired electrons on NMR spectral parameters provide a

163 n the (7)Li nucleus and the transition metal unpaired electrons on the basis of the Curie-Weiss tempe

164 ng the role of oxygen spin population (i.e., unpaired electrons on the oxo ligand) in facilitating C-

165 by significant delocalization (~50 %) of the unpaired electron onto the axial boron and nitrogen liga

166 inding is overcome through delocalization of unpaired electrons onto the metal centers and the supere

167 Molecules or ions are either paramagnetic (unpaired electrons) or diamagnetic (all electrons are pa

168 ss to the molecular states, we show that the unpaired-electron orbital can be probed with angstromngs

169 ve features a peculiar delocalization of the unpaired-electron orbital over some but not all moieties

170 50 mu(B)) in solution is consistent with one unpaired electron per [N(3)]Ru moiety; however, 2 is dia

171 tion of unpaired electrons (approximately 40 unpaired electrons per particle) was studied in detail,

172 magnetic moment of 1 u(B) resulting from an unpaired electron populating a spin-polarized in-gap orb

173 ion between a stable organic radical and the unpaired electrons present in the open-shell configurati

174 t a pumping sequence to reduce the number of unpaired electrons (quasiparticles) in close proximity t

175 (terpyridine)NiMe (2a) both suggest that the unpaired electron resides heavily on the terpyridine lig

176 a (2)B(1) electronic ground state, where the unpaired electron resides in a p-orbital perpendicular t

177 eters could be obtained by assuming that the unpaired electron resides in an xy orbital in the four-c

178 +3 oxidation state, the spin density of the unpaired electron resides primarily on the benzene trian

179 d of g tensor components consistent with the unpaired electron residing in a metal-based MO.

180 orbital (from ionization) with the two other unpaired electrons resulting from the transition from th

181 data indicate delocalization of the silicon unpaired electrons, resulting in a 6pai-electron C(4)Si(

182 udied phenyl isocyanurate anion radical, the unpaired electron(s) is now localized within an [8]annul

183 nd almost entirely isotropic coupling to the unpaired electron, show that this coupling atypically ha

184 radical in which the p-orbital harboring the unpaired electron spin at C3 is periplanar with the C-H

185 splays a markedly asymmetric distribution of unpaired electron spin density among the heme pyrrole be

186 with the theoretically predicted increase in unpaired electron spin density as axial N lone pair dona

187 rbons which, combined, possess an equivalent unpaired electron spin density as the benzylic position

188 r thermophilus, which has similar amounts of unpaired electron spin density at the beta substituents

189 A natural bond orbital (NBO) analysis of unpaired electron spin density in metalloproteins is pre

190 lecule with low chemical reactivity with the unpaired electron spin density localized on the internal

191 Approximately 90% of the unpaired electron spin density occupies metal-ligand NBO

192 o be covalent to the extent of 17-27% of the unpaired electron spin density residing in the valence 4

193 ignificantly less reliable indicators of the unpaired electron spin distribution than the methyl 13C

194 del with a highly asymmetric distribution of unpaired electron spin in the P(700)(+)(*) radical catio

195 ves rise to strong hyperfine coupling to the unpaired electron spin of the metal in the MoV oxidation

196 ODNP relies on an unpaired electron spin-containing probe located at molec

197 ol in which the dipolar coupling between two unpaired electron spins (site-directed nitroxide spin-la

198 polarization transfer in the region near the unpaired electron spins are unclear.

199 ic resonance (EPR) spectroscopy interrogates unpaired electron spins in solids and liquids to reveal

200 which is based on polarization transfer from unpaired electron spins to nuclear spins and happens on

201 The photogeneration of multiple unpaired electron spins within molecules is a promising

202 owever, when aromatic pai-systems contain an unpaired electron, stronger attraction involving face-to

203 es is incorrect in that the states have more unpaired electrons than the minimum number required by t

204 at 0.35 tesla by using highly spin-polarized unpaired electrons that are covalently immobilized onto

205 y feature, the singlet spin coupling of four unpaired electrons that arises in the core-to-LUMO state

206 f the molecule entails the presence of three unpaired electrons that couple to form a spin quartet gr

207 is breaks the direct pai-conjugation between unpaired electrons that gives rise to two radical center

208 e (Mn) has paramagnetic properties with five unpaired electrons that permit high spin number, long el

209 s that to avoid the costly uncoupling of its unpaired electrons, the biradical favors ionic mechanism

210 he molecule include not just the presence of unpaired electrons: the electronic configuration of the

211 ity alternating with walls of spin-polarized unpaired electrons; this configuration lowers the free e

212 ce spectrum revealed a delocalization of the unpaired electron through the thiolate-bridging ligand.

213 lity of both amide proton dipolar shifts and unpaired electron to amide proton distances permitted th

214 action proceeds, indicating migration of the unpaired electron to an alternative site.

215 tion by CW X-band EPR spectroscopy, revealed unpaired electron to be metal centric.

216 molecular orbital of 3, which allows for the unpaired electron to extend throughout the cerium-azide-

217 ins trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the

218 o decrease the inequivalent couplings of the unpaired electron to the methyl protons that shorten Tm

219 , show delocalization of both the charge and unpaired electron to the nitrogens of the cyano moieties

220 y on Li[1] reveals hyperfine coupling of the unpaired electron to two magnetically equivalent boron n

221 ct ODNP, which transfers the polarization of unpaired electrons to (13)C nuclei via direct hyperfine

222 transfers the high polarization of exogenous unpaired electrons to nuclear spins via microwave irradi

223 ulsed DNP, the transfer of polarization from unpaired electrons to nuclei (usually (1)H) is induced b

224 ensitivity by transferring polarization from unpaired electrons to nuclei, but nearby nuclear spins a

225 transfers the high Boltzmann polarization of unpaired electrons to nuclei.

226 scopy, via the transfer of polarization from unpaired electrons to nuclei.

227 signals by transferring the magnetization of unpaired electrons to the nuclei.

228 sfer of spin polarization from the radical's unpaired electrons to the target nuclei.

229 NR''(*-))2] containing three ligand-centered unpaired electrons: two nitrene radicals (NR''(*-)) and

230 ected for a succinyl-CoA radical wherein the unpaired electron was centered on the carbon alpha to th

231 arrowing of the EPR signal, showing that the unpaired electron was located on the carbon skeleton of

232 s more stable than the configuration with 2S unpaired electrons (where S is the spin of the system).

233 tremely challenging owing to the presence of unpaired electrons, which confers them with enhanced rea

234 Furthermore, magnetic coupling of the unpaired electron with (14)N from Arg260, detectable by

235 e hyperfine lines due to the coupling of the unpaired electron with (63,65)Cu isotopes, (14)N, and (1

236 da doublet propensities (orientations of the unpaired electron with respect to the molecular rotation

237 ed to the quasi-allylic interaction of their unpaired electrons with the carbonyl units of their adja

238 nces the ionicity of the tetravalent Nb with unpaired electrons, yielding ferromagnetic ordering.