Journal ArticleDOI
Normal coordinate analysis and mean amplitudes of bis(2,2,6,6-tetramethylheptane-3,5-dionato)uranyl
Reads0
Chats0
TLDR
In this article, a normal coordinate analysis for bis(2,2,6,6-tetramethylheptane-3,5-dionato)uranyl has been performed.Abstract:
A normal coordinate analysis has been performed for bis(2,2,6,6-tetramethylheptane-3,5-dionato)uranyl according to two simplified models: (i) a 35-atom model consisting of one tetramethylheptanedionate ligand attached to uranyl; symmetry C 2 V and (ii) a 31-particle model of the whole complex, where the methyl groups are taken as point masses; symmetry D 2h . The construction of independent symmetry coordinates by the “method of fragments” is described. Calculated vibrational frequencies are reported along with mean amplitudes ( l - values) and perpendicular amplitude coefficients ( K - values) for selected interatomic distances.read more
Citations
More filters
Journal ArticleDOI
Molecular Vibrations of Hexabenzocoronenes
Bjørg N. Cyvin,S. J. Cyvin +1 more
TL;DR: In this article, the force-field approximations for condensed aromatics, both for the in-plane and out-of-plane vibrations, were used to calculate the frequencies for hexabenzocoronene A (C42H18) and hexabenocorsonene B (C48H24).
Journal ArticleDOI
Condensed aromatics. XXIII: Cyclo[d.e.d.e.d.e.d.e.d.e.d.e]dodecakisbenzene (kekulene)
TL;DR: In this article, the topological properties of coronoids are given and the set of calculated vibrational frequencies is reported for one of these molecules, viz C 48 H 24 kekulene, and the simple Huckel molecular orbital analysis has been performed and employed in the construction of a harmonic force field.
Journal ArticleDOI
Vibrational Framework Spectra of UO2(acac)2: and Symmetry Coordinate Sets for the ML2(AA)2: Molecular Model of D2h Symmetry. AA = Acetilacetonate
TL;DR: In this article, the in-plane and out-of-plane normal vibrations of UO2(acac)2 type complexes of D2h symmetry were assigned to the infrared and Raman spectra.
Journal ArticleDOI
Framework infrared and Raman spectra of uranyl bis(1,3-diphenyl-1,3-propanedionate), uranyl bis(1,1,1-trifluoro-2,4-pentanedionate) and uranyl bis(2,4-pentanedionate) complexes
TL;DR: In this paper, the infrared and Raman spectra of uranyl bis(1,3-diphenyl-1, 3-propanedionate), trifluoro-2, 4-pentanodionate and uranyl 2, 4 pentanodienate have been measured in the 1000-70 cm−1 region.
Journal ArticleDOI
Fourier transform infrared and Raman spectra of uranyl bis(2-hydroxybenzaldehyde): UO2(sal)2
TL;DR: In this paper, the Fourier transform infrared and Raman spectra of 2-hydroxybenzaldehyde were measured in the 4000-70 cm−1 region and the fundamental skeletal vibrational modes were assigned by comparison with other uranyl complexes.
References
More filters
Journal ArticleDOI
Fractional sublimation of the β-diketone chelates of the lanthanide and related elements
TL;DR: In this article, a number of β-diketone chelates of Sc(III, Y(III), Th(IV), U(IV) and dioxouranium(VI) acetylacetonates have been characterized and investigated to determine if they were volatile and stable.
Journal ArticleDOI
Organische Metallkomplexe—V. I.R.-Spektren von 13C-, 18O- und 2H-markierten Acetylacetonaten☆
H. Junge,Hans Musso +1 more
TL;DR: In this paper, the frequencies of the Cu(II) complex in the range between 1600 and 1250 cm −1 were assigned as follows: 1578 cm − 1 mainly CO stretching (B 1 u ), 1527 cm−1 mainly CCC stretching ( B 2 u ), 1430 cm− 1 CH 3 degenerate deformation, 1397 cm−2 CO stretching B 2 U ), 1354 cm−3 CH 3 symmetric deformation and 1281 cm−4 CC
Journal ArticleDOI
The structure of bis(1,1,1,5.5,5-hexafluoro-2,4. pentadionato) copper(II) as determined by gas phase electron diffraction
TL;DR: In this article, the structural properties of bis(1,1, 1,5, 5,5-hexafluoroacetylacetonato) copper(II) have been determined by gas phase electron diffraction.
Journal ArticleDOI
The structure of tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)aluminum(III) determined by gas phase electron diffraction
M.L. Morris,R. L. Hilderbrandt +1 more
TL;DR: In this article, the structure of tris(1,1, 1,5, 5,5-hexafluoroacetylacetonato)aluminum(III) has been determined by gas phase electron diffraction.