High-resolution Raman spectroscopy in the red and near infrared—II

Stammreich, H.; Forneris, Roberto; Tavares, Yara

doi:10.1016/0371-1951(61)80165-3

Cited by 51 publications

(23 citation statements)

References 23 publications

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“…The spectrum of [AsPh 4 ][Cl(BrCl) 3 ] reveals three unresolved bands at 392, 376, and 363 cm −1 in the Br–Cl stretching region (Figure , top trace). These bands are shifted to lower wavenumbers relative to free BrCl (434 cm −1 ) as a consequence of the elongation and weakening of the BrCl bond. A computed spectrum at the B3LYP‐D3/def2‐TZVPP level of an undistorted heptainterhalide of C 3 v symmetry is shown in Figure S6.…”

Section: Figurementioning

confidence: 99%

Synthesis and Characterization of Nonclassical Interhalides Based on Bromine Monochloride

et al. 2018

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Due to a more distinct σ-hole, BrCl is able to form stronger halogen bonds than those in polyhalogen anions based on Cl and Br . This stabilization allows the crystallographic characterization of a variety of new polyinterhalides, in which chloride functions as the central ion as shown by the molecular structures of [AsPh ][Cl(BrCl) ] and [CCl(NMe ) ][Cl(BrCl) ]. Furthermore, the solid-state structure of an octahedrally coordinated nonclassical interhalide is reported for the first time. The tridecainterhalide monoanion [Cl(BrCl) ] consists of a central chloride ion, which is coordinated by six BrCl molecules in a slightly distorted octahedral structure. All new compounds were characterized by single-crystal X-ray diffraction (XRD), NMR and Raman spectroscopy, as well as quantum-chemical calculations.

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Section: Figurementioning

confidence: 99%

Synthesis and Characterization of Nonclassical Interhalides Based on Bromine Monochloride

et al. 2018

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“…These two bands can be explained by two symmetric stretching vibrations of two crystallographically independent [Cl(BrCl)] − anions, which differ in bond lengths and angles (241.8(1), 235.7(1) pm, 174.8(1)°; 240.4(1), 239.1(1) pm, 179.1(1)°). These bands are most shifted to lower wavenumbers in comparison to free BrCl (434 cm −1 ) [42] due to the 3c−4e bond in the trihalide. Quantum chemical calculations for the trihalide in D ∞ h symmetry at the SCS‐MP2/def2‐TZVPP level of theory predict one band for the symmetrical stretching vibration at 270 cm −1 ( A 1 g ), which agrees well with the experimental results.…”

Section: Resultsmentioning

confidence: 97%

In Situ Synthesis and Applications for Polyinterhalides Based on BrCl

Schmidt¹,

Ponath²,

Hannemann³

et al. 2020

Chemistry A European J

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The use of neat BrCl in organic and inorganic chemistry is limited due to its gaseous aggregate state and especially its decomposition into Cl 2 andB r 2 .T he stabilization of BrCl in form of reactive ionic liquidsv ia an ovel in situ synthesis route shifts this equilibrium drastically to the BrCl side, which leads to safer and easier-to-handle interha-logenation reagents. Furthermore, the crystallined erivatives of the hitherto unknown [Cl(BrCl) 2 ] À and [Cl(BrCl) 4 ] À anions were synthesized and characterized by single-crystal X-ray diffraction (XRD), Ramana nd IR spectroscopy,a sw ell as quantum chemical calculations.

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“…The spectroscopic measurement of the interhalogen iodine compounds (ICl, IBr, and BrCl) have been measured using infrared (IR) spectroscopic methods (1-4). 28,29,30,31 The band center of ICl lies at 381 cm −1 , 30,31 which is in the far-infrared region.…”

Section: Ftirmentioning

confidence: 99%