Electronic Spectra of Phenolate and Naphtholate Anions

Hoshi, Toshihiko; Yoshino, Junko; Hayashi, Kazutoshi

doi:10.1524/zpch.1973.83.1-4.031

Cited by 11 publications

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“…18, 40–42 In the current case, the best‐fit structure derived from PERSEUS for [Yb{( S )‐binolam} 3 ] ⋅ (OTf) 3 ( 5 ) was used as input structure. Spectral parameters for 2‐naphthoate were considered as appropriate for depicting the aromatic chromophore; they were taken from the literature43 and from the absorption spectrum of 1 in acetonitrile and are summarised in the Experimental Section. The calculated spectrum (Figure 8b) is in very good agreement with the experimental spectra for both binolam complexes 2 and 5 in terms of overall shape.…”

Section: Resultsmentioning

confidence: 99%

“…Spectral parameters (transition frequency, dipolar strength and bandwidth) were extracted from the UV spectrum of binolam in acetonitrile, and are summarised in Table S3 in the Supporting Information. Dipoles were placed in the middle of each naphthalene ring and their polarisation directions (also shown in Table S3, Supporting Information) were taken from those reported in the literature for the 2‐naphthoate anion 43…”

Section: Methodsmentioning

confidence: 99%

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[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

Bari

Pietro

Tur

et al. 2010

Chemistry A European J

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The ligand 3,3'-bis(diethylaminomethyl)-1,1'-bi-2-naphthol (binolam) contains an arrayed Brønsted acid-Brønsted base (BABB) system, which is responsible for the original shape of its lanthanide compounds. The solution structure of Pr, Nd and Yb compounds is solved by means of paramagnetic NMR spectroscopy and it is demonstrated that they are substantially isostructural, but with a completely new fold compared to the apparently similar heterobimetallic systems based on 1,1'-bis(2-naphthol) (binol) and alkali cations. The aromatic nuclei lie in a region equatorial with respect to the C(3) symmetry axis, whereas the alkylamine chain stretches almost parallel to C(3), above (and below) Ln(3+). This is also found in the crystal structure of the binolamo-scandium complex. A detailed study of the proton-exchange processes within the network of BABBs present in the complex is reported, which provides insight into the mechanism of the enantioselective Henry reaction promoted by these systems.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

Bari

Pietro

Tur

et al. 2010

Chemistry A European J

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“…In the Cl calculations, all singly excited configurations among the highest eight occupied and the lowest eight vacant orbitals were taken into account. The valence state ioniza tion potentials (Ip(r)) and electron affinities (Ea(r)) of atom r are as follows [30]: …”

Section: Methodsmentioning

confidence: 99%

Electronic Structure of 2,6-Bis{.N-(2-hydroxyphenyl)immoinethyl}-4-methylphenol

Hasegawa

Yamada

Kumagai

et al. 1999

Zeitschrift Für Naturforschung B

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The electronic and molecular structure of 2,6-bis{/V-(2-hydroxyphenyl)iminomethyl}-4-methylphenol (hpimp) is clarified from the m easurements of electronic absorption and 'H NMR spectra in various solvents and an X-ray diffraction analysis, together with MO calcula tions. Electronic absorption bands of hpimp are at 422, 397.9, 359, 341, 294.3, 265.8, and 224 nm in the non-polar solvent cyclohexane. In polar solvents, such as methanol, an additional band which is assigned to a partly formed keto-am ine hpimp, is observed at 499 nm. From the ]H NM R spectra it is seen that hpimp exists in the enol-imine form in non-polar solvents, and as an equilibrium mixture of enol-imine and keto-amine forms in polar solvents. Each electronic absorption band of solid hpimp in a KBr disk is broadened compared with the solution state, and an additional band, again assigned to the keto-amine form, appears around 499 nm. A n X-ray diffraction analysis shows that hpimp assumes a keto-amine structure in the solid state, and forms a column structure along the c-axis. MO calculations suggest that the enol-imine hpimp has a twist structure around the two C -C single bonds, the twist angle being 100° to 120°.

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“….67 eV, and Ea(O À )=10.5 eV [11,15,16]. In CI calculations, 64 singly electronic excited configurations among the highesteight-occupied and the lowest eight unoccupied orbitals were taken into account.…”

Section: Mo Calculationmentioning

confidence: 99%

Electronic absorption and emission spectra of Alq3 in solution with special attention to a delayed fluorescence

Hoshi

Kumagai

Inoue

et al. 2008

Journal of Luminescence

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Electronic Spectra of Phenolate and Naphtholate Anions

Cited by 11 publications

References 0 publications

[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

Electronic Structure of 2,6-Bis{.N-(2-hydroxyphenyl)immoinethyl}-4-methylphenol

Electronic absorption and emission spectra of Alq3 in solution with special attention to a delayed fluorescence

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Electronic Spectra of Phenolate and Naphtholate Anions

Cited by 11 publications

References 0 publications

[Ln(binolam)3]⋅(OTf)3, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

[Ln(binolam)3]⋅(OTf)3, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

Electronic Structure of 2,6-Bis{.N-(2-hydroxyphenyl)immoinethyl}-4-methylphenol

Electronic absorption and emission spectra of Alq3 in solution with special attention to a delayed fluorescence

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[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight

[Ln(binolam)₃]⋅(OTf)₃, a New Class of Propeller‐Shaped Lanthanide(III) Salt Complexes as Enantioselective Catalysts: Structure, Dynamics and Mechanistic Insight