Vibronic interaction in europium nitrates Eu(NO3)3 · 4SOR2

Tsaryuk, V. I.; Savchenko, V. D.; Zolin, V. F.; Kudryashova, V. A.

doi:10.1016/s1386-1425(99)00213-9

Cited by 4 publications

(4 citation statements)

References 13 publications

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“…The wavenumber differences between these bands, centered at 605.6, 606.7, 607.1, and 607.4 nm (the accuracy is ca. ±0.02 nm), and the zero-phonon line (ZPL) at 580.87 nm are 704, 733, 743, and 752 cm –1 , respectively, and are in accordance with values published for VSBs of EuNO 3 entities in various compounds (Figure c); − e.g., in the Raman and VSB spectra of [Eu(NO 3 ) 3 (bpy) 2 ]·bpy, the in-plane deformation modes of bidentately bound nitrate ions were found at 706 (ν 5 ) and 735–742 (ν 3 ) cm –1 , respectively . Therefore, we assign the band at 704 cm –1 to ν 5 and the bands at 733, 743, and 752 cm –1 to ν 3 .…”

Section: Resultssupporting

confidence: 88%

“…By VSBS, the types of coordinated ligands can be determined. , Those sidebands have their origin in the coupling of electronic transitions and the vibrational modes of the ligands (called vibronic coupling), leading to Stokes-shifted side peaks of the corresponding electronic transition . Free NO 3 – (trigonal planar) has D 3 h symmetry.…”

Section: Methodsmentioning

confidence: 99%

“…Those values may vary depending on the differences in the ligand field. The vibronic interactions in compounds containing europium nitrate were studied in refs – . We use the VSBs correlated to the ν 5 and ν 3 vibration transitions of coordinated nitrate because they do not overlap with the electronic transitions in the fluorescence spectra.…”

Section: Methodsmentioning

confidence: 99%

“…47,48 Those sidebands have their origin in the coupling of electronic transitions and the vibrational modes of the ligands (called vibronic coupling), leading to Stokes-shifted side peaks of the corresponding electronic transition. 48 Free NO 3 − (trigonal planar) has D 3h symmetry. If the nitrate is coordinated in a bidentate fashion, the symmetry is lowered (C 2v and lower).…”

Section: Methodsmentioning

confidence: 99%

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Complexation of Europium(III) by Bis(dialkyltriazinyl)bipyridines in 1-Octanol

et al. 2011

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The present work focuses on highly selective ligands for An(III)/Ln(III) separation: bis(triazinyl)bipyridines (BTBPs). By combining time-resolved laser-induced fluorescence spectroscopy, nanoelectrospray ionization mass spectrometry, vibronic sideband spectroscopy, and X-ray diffraction, we obtain a detailed picture of the structure and stoichiometry of the first coordination sphere of Eu(III)-BTBP complexes in an octanolic solution. The main focus is on the 1:2 complexes because extraction studies revealed that those are the species extracted into the organic phase. The investigations on europium(III) complexes of BTBP with different triazin alkylation revealed differences in the formed complexes due to the bulkiness of the ligands. Because of the vibronic sidebands in the fluorescence spectra, we were able to detect whether or not nitrate ligands are coordinated in the first coordination sphere of the Eu-BTBP complexes. In solution, less sterically demanding BTBP offers enough space for additional coordination of anions and/or solvent molecules to form 9-coordinated Eu-BTBP 1:2 complexes, while bulkier ligands tend to form 8-fold-coordinated structures. We also report the first crystal structure of a Ln-BTBP 1:2 complex and that of its 1:1 complex, both of which are 10-coordinated.

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Section: Resultssupporting

confidence: 88%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Complexation of Europium(III) by Bis(dialkyltriazinyl)bipyridines in 1-Octanol

et al. 2011

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Computational study of energies and structures of 2,4,6‐pyrimidinetrione and its anions

Daskalova

Binev

2005

Int J of Quantum Chemistry

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Energies and structures of 2,4,6-pyrimidinetrione, its anion, dianion, and trianion have been studied by means of ab initio and density functional computations. According to these studies, the most stable among the molecular tautomers is the triketo form, followed by the 6-hydroxy tautomer, in full agreement with earlier theoretical results and with experimental data on the tautomeric equilibrium. The deprotonation energy of 1345.24 kJ mol Ϫ1 calculated for 2,4,6-pyrimidinetrione, corresponds to a moderately strong COH acid, in accordance with its experimental pK a 1 ϭ 8.4 (solvent dimethylsulfoxide). The calculated structural changes, caused by the molecule 3 monoanion conversion, are in good agreement with those found experimentally. Energy and structural changes, worked by both anion 3 dianion and dianion 3 trianion conversions, have also been computed and discussed.

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