ライフサイエンスコーパス: ligand field

1 + ion in a tetragonally-distorted octahedral ligand field.

2 l rearrangements of the diiron subsite CO/CN ligand field.

3 oid environment with a mixed nitrogen/oxygen ligand field.

4 ter rates corresponding to weaker equatorial ligand fields.

5 opper centers experience virtually identical ligand fields.

6 g in terms of strength and symmetry of their ligand fields.

7 following excitation into the lowest-energy ligand-field absorption band; the time constant is found

8 ethods, density functional calculations, and ligand field analyses are combined to define the geometr

9 the light of the bonding scheme derived from ligand field analysis of the ab initio results.

10 A simple ligand field analysis of this change indicates that bind

11 inated within an unusual all-oxygen trigonal ligand field and are accessible to both inner- and outer

12 s and total intensities allow changes in the ligand field and effective nuclear charge to be determin

13 uction of the geometric configuration of the ligand field and gives indirect information about the co

14 y maintaining a large separation between the ligand field and metal-to-ligand charge transfer (MLCT)

15 t-field calculations (CASSCF), we define the ligand-field and charge-transfer excited states of [Mn(I

16 oretical approach is based on an analysis of ligand-field and small-cluster Hamiltonians based on the

17 rly demonstrate the importance of tuning the ligand field around the dimetal center to maximize the p

18 transition metal (TM) ion, by an appropriate ligand field, as a means of achieving higher barriers.

19 ible at the transition state due to a weaker ligand field associated with the steric interactions of

20 ioisomeric linker alters the symmetry of the ligand field at the metal sites, leading to increases of

21 ehavior originates from the dominating axial ligand field at the O adsorption site, which leads to ou

22 Comparison of the ligand fields at the Fe(II) shows little difference betw

23 c and electronic structure--including a weak ligand field, availability of two water ligands at the b

24 to occur preferentially to the lower energy ligand-field band due primarily to more favorable dipole

25 dination of one cysteine side chain and also ligand field bands (epsilon560 = 140 M(-1) cm(-1)) indic

26 The ligand-field bands indicate square-pyramidal coordinatio

27 Ligand field calculations using AOMX are used to assign

28 Although synthetic tuning of the ancillary ligand field can stabilize M-L multiply bonded complexes

29 Because of the substantially different ligand-field chemistry of Mg(2+) and Cu(2+), site disord

30 The strongest ligand field component is likely the single axial Se ato

31 Zr exhibit unusual populations according to ligand field considerations, which reveal a high degree

32 ransition metal cations, it is seen that the ligand field contributions play an important role in the

33 single-molecule magnets by concentrating the ligand-field contributions above and below the equatoria

34 that generate a sufficiently strong in-plane ligand field (dmpe = 1,2-bis(dimethylphosphino)ethane, L

35 splitting is determined by the differential ligand field effect of Cl(-) versus OH(-) on the Fe cent

36 und-state wave function of Cu(A) in terms of ligand field effects on the orbital orientation and the

37 een the different complexes, consistent with ligand field effects previously observed in luminescence

38 Ligand-field electronic absorption and magnetic circular

39 This paper reports the application of ligand-field electronic absorption spectroscopy to probe

40 The ground-state and charge-transfer/ligand-field excited-state properties of the low-spin cy

41 Ligand field expressions are derived that describe the b

42 noxide constitute a sensitive probe of trans ligand field, FeCO structure, and electrostatic landscap

43 sults highlight the utility of an equatorial ligand field for facilitating slow magnetic relaxation i

44 ) metal complex that prefers a square planar ligand field forms a CT salt by bridging to the iron com

45 P450 indicates that the stronger equatorial ligand field from the porphyrin results in a low-spin Fe

46 properly orient the substrate, allowing for ligand field geometric changes along the reaction coordi

47 ttern correlates with its distorted T-shaped ligand field geometry and accounts for the observed low

48 Exploration of inverted ligand fields helps us see the continuous, borderless tr

49 bins, indicates that azide exerts a stronger ligand field in hHO than in the globins, or that the dis

50 This suggests that the proximal ligand field in these CO adducts is weaker than that for

51 us 3d(10) configuration features an inverted ligand field in which all five metal-localized molecular

52 ction leads to an increase in the equatorial ligand field, indicating that the site acquires a more t

53 omplexes enables an initial probe of how the ligand field influences the static and dynamic magnetic

54 of quenching of orbital angular momentum by ligand fields is observed to occur at approximately 40 K

55 The vanadium, in a distorted octahedral ligand field, is covalently bound to the active site ser

56 y(3+), and U(3+) metal ions within the axial ligand field lead to slow relaxation upon application of

57 The contributions of ligand field (LF) and the charge on the absorbing atom i

58 The MCD spectrum of biferrous MIOX shows two ligand field (LF) transitions near 10000 cm(-1), split b

59 CD, and VTVH MCD spectroscopies coupled with ligand-field (LF) calculations are used to elucidate cha

60 o conversion from the charge-transfer to the ligand-field manifold.

61 In contrast, empirical ligand-field molecular mechanics (LFMM) captures the d-e

62 study, molecular dynamics simulations using ligand-field molecular mechanics are performed to elucid

63 Combined X-ray absorption spectroscopy and ligand field multiplet calculations show that Cu(II), Ni

64 The ligand field multiplet model commonly used to simulate L

65 e line splittings can be understood within a ligand field multiplet model, i.e., (3d,3d) and (2p,3d)

66 aracteristic of high spin Fe(3+) in a strong ligand field of low (orthorhombic) symmetry.

67 its importance, not much is known about the ligand field of the azido ligand and its influence on ma

68 transition states resulting from the weaker ligand field of the halogenase.

69 dentate ligands that modulate the equatorial ligand field of the Mn(IV) center, as assessed by electr

70 assigned to activated surface crossing to a ligand field or MLCT excited state.

71 The Fe ligand field overcomes the spin-forbidden nature of the

72 ignment of its absorption bands leads to the ligand field parameters Delta(o) = 24800 cm(-1) and B =

73 scopy has been used to study changes in Co2+ ligand-field parameters as a function of alloy compositi

74 ased on the visible-near-IR spectra to yield ligand-field parameters for these complexes following th

75 This demonstrates that the axial ligand field provided by an imidazole and a thioether is

76 mate substitutions indicate that the neutral ligand field provided by the protein optimizes the elect

77 A ligand field rationalization is advanced and supported b

78 consequences of such drastic changes to the ligand field represent important new opportunities in de

79 and Eu(DPA)(+), which was monitored via the ligand field sensitive (5)D0 --> (7)F3 transition (lambd

80 The ligand field shifted luminescence was excited using 1 mW

81 The ligand field spectra for the Mn(III) ion, characteristic

82 spin model complexes revealed a reduction in ligand field splitting of approximately 1 eV in the high

83 th Brewer-type Ti-Ru interactions as well as ligand field splitting of the Fe 3d orbitals regulated t

84 heory-that thermal energy is larger than the ligand field splitting-does not hold for the lanthanide

85 ead, the dithiolene ligands define the t(2g) ligand field splitting.

86 r to restrict the magnitude of the d-orbital ligand-field splitting energy (which tends to hinder the

87 the molecular orbital construction of these ligand field splittings evolves a strategy for inverting

88 odulation of the stability of the hexamer by ligand field stabilization effects.

89 lity of the ligand sphere and the absence of ligand field stabilization energies in systems with fill

90 These studies establish that ligand field stabilization energy (LFSE), coordination g

91 , the expectation based on considerations of ligand field stabilization energy.

92 o(2+)) is proposed to reflect differences in ligand-field stabilization energies (LFSEs) due to compl

93 They describe the ligand-field stabilization energy to an accuracy of abou

94 which show that the CT state is mixed with a ligand field state (t(2g) --> e(g)) by configuration int

95 Relaxation dynamics of an optically excited ligand field state and strong modulation of oscillator s

96 Excitation of the ligand field state created a coherent acoustic phonon re

97 frared pump beam prepared the lowest excited ligand field state of Fe(3+) ions preferentially on the

98 = 190 +/- 50 fs for the formation of the 5T2 ligand-field state was assigned based on the establishme

99 be explained by drastic modification of the ligand field states due to the fluoride binding.

100 destabilizes the non-radiative metal-centred ligand-field states.

101 lar orbital (LUMO) energy is governed by the ligand field strength and is related to Lewis acid/base

102 l magnetic anisotropy scales with increasing ligand field strength at the iron(II) center.

103 , MCD data show that there is an increase in ligand field strength due to an increase in coordination

104 Similar ligand field strength in the mutant and the wild type (f

105 leotide binding environment with the highest ligand field strength is compatible with a metal coordin

106 age serves to markedly enhance the effective ligand field strength of His-18.

107 n fold and perhaps to increase the effective ligand field strength of Met-80 as well.

108 orm from planarity, which is imparted by the ligand field strength of the coordinated OH(-), is likel

109 These findings suggest that if the ligand field strength of the coordinated OOH(-) in heme

110 [((H)L)2Fe6(L')m](n+) in which the terminal ligand field strength was modulated from weak to strong

111 the coordinated hydroxide ligand, lowers its ligand field strength, thereby increasing the field stre

112 H dependence (pH approximately 6.5-9) of its ligand-field symmetry (rhombicity Delta delta = 10%, der

113 We construct several examples of inverted ligand field systems with a hypothetical but not unreali

114 It is found that the ligand field term dominates the edge energy shift.

115 rt a vanadium complex in a nuclear-spin free ligand field that displays two key properties for an ide

116 On the basis of the ligand field theory, most fluorescence spectral peaks co

117 ransitions were assigned with the aid of the ligand-field theory.

118 In the tetragonal ligand field, these electrons populate an orbital of dxy

119 these compounds arise from a single ion in a ligand field, they are often referred to as single-ion m

120 PhBP(3)] ligand provides an unusually strong ligand-field to these divalent cobalt complexes that is

121 PR) spectra, which result from their similar ligand field transition energies and ground-state Cu cov

122 elative to the Cu(H) site leading to similar ligand field transition energies for both sites.

123 probe beam monitored the dynamics of various ligand field transitions and modification of their oscil

124 the low-energy region where Co(2+)-centered ligand field transitions are expected to occur.

125 strong modulation of oscillator strengths of ligand field transitions by coherent acoustic phonon in

126 pecies is characterized by a distinct set of ligand field transitions in the near-IR spectral region

127 We can unequivocally assign them to the ligand field transitions of dxy --> dxz,yz, dxz,yz --> d

128 trongly modulated oscillator strength of the ligand field transitions rather than oscillating Frank-C

129 spectroscopy revealed the presence of Co(II) ligand field transitions that had molar absorptivities o

130 e transfer band and (2) less intense, Co(II) ligand field transitions that suggest 4-coordinate Co(II

131 Contrastingly, the Co(2+)-centered ligand field transitions, which are observed here for th

132 c circular dichroism (MCD) spectra show weak ligand-field transitions between 5000 and 12,000 cm(-1)

133 ns in the UV region and (5)T(2g) --> (5)E(g) ligand-field transitions in the NIR region at 12400 and

134 donor emission spectra and the two observed ligand-field transitions of the Cu(II) ion.

135 ron transfers is stabilized by an octahedral ligand field, whereas in the solution phase a Pt(II) met

136 Combining a strong axial [Cp*](-) ligand field with a weak equatorial field consisting of

137 ground state (S = 5/2) for Mn2+ and a strong ligand field with large anisotropy.

138 Coupling this strong ligand-field with a pronounced axial distortion away fro