2016
DOI: 10.1016/j.vibspec.2016.06.011
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ATR or transmission—A variable temperature study comparing both techniques using [Fe(3ditz)3](BF4)2 as model system

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Cited by 7 publications
(4 citation statements)
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“…Variable-temperature mid-range (4000-450 cm À1 )a nd farrange (700-130 cm À1 )I Rs pectra were recorded by using the ATR technique with aP erkinElmer Spectrum 400 spectrometer fitted with ac oolable/heatable PIKE Gladi ATR-Unit. [25] For X-ray diffraction analysis, single crystals were attached to ag lass fiber by using perfluorinated oil and mounted in aB ruker KAPPAA PEX II diffractometer equipped with aC CD detector with Mo Ka radiation (Incoatec Microfocus Source ImS: 30 W, multilayer mirror, l = 0.71073 ). X-ray diffraction data for 9 were collected in ad ry stream of nitrogen (Cryostream 800, Oxford Cryosystems) at 300 Ka nd for 1 at 200 K. Redundant data sets were collected up to 2q = 558.F or the measurements of 9 at 200 and 120 K, aN onius KappaCCD diffractometer (graphite-monochromatized Mo Ka radiation, l = 0.71073 ) equipped with a0 .3 mm monocapillary optics collimator was used.…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…Variable-temperature mid-range (4000-450 cm À1 )a nd farrange (700-130 cm À1 )I Rs pectra were recorded by using the ATR technique with aP erkinElmer Spectrum 400 spectrometer fitted with ac oolable/heatable PIKE Gladi ATR-Unit. [25] For X-ray diffraction analysis, single crystals were attached to ag lass fiber by using perfluorinated oil and mounted in aB ruker KAPPAA PEX II diffractometer equipped with aC CD detector with Mo Ka radiation (Incoatec Microfocus Source ImS: 30 W, multilayer mirror, l = 0.71073 ). X-ray diffraction data for 9 were collected in ad ry stream of nitrogen (Cryostream 800, Oxford Cryosystems) at 300 Ka nd for 1 at 200 K. Redundant data sets were collected up to 2q = 558.F or the measurements of 9 at 200 and 120 K, aN onius KappaCCD diffractometer (graphite-monochromatized Mo Ka radiation, l = 0.71073 ) equipped with a0 .3 mm monocapillary optics collimator was used.…”
Section: Methodsmentioning
confidence: 99%
“…A Harrick coolable/heatable powder sample holder in “Praying Mantis” configuration was used. Variable‐temperature mid‐range (4000–450 cm −1 ) and far‐range (700–130 cm −1 ) IR spectra were recorded by using the ATR technique with a PerkinElmer Spectrum 400 spectrometer fitted with a coolable/heatable PIKE Gladi ATR‐Unit . For X‐ray diffraction analysis, single crystals were attached to a glass fiber by using perfluorinated oil and mounted in a Bruker KAPPA APEX II diffractometer equipped with a CCD detector with Mo Kα radiation (Incoatec Microfocus Source IμS: 30 W, multilayer mirror, λ =0.71073 Å).…”
Section: Methodsmentioning
confidence: 99%
“…The spin crossover complex [Fe(3ditz)3](BF4)2 has been used as a model system to compare advantages and drawbacks of these two modes for IR spectroscopy. 19 According to the article, "in the Mid-IR spectra, the transmission mode is the clear favorite, as it combines a satisfying temperature range with good spectral quality and signal intensities over the full temperature and spectral range. The ATR accessory allows for lower temperatures and faster heating/cooling cycles, but suffers from weaker signal intensities, ice formation in the low-temperature range and interferences in the high temperature range".…”
Section: Vibrational Spectroscopiesmentioning
confidence: 99%
“…The asymmetric unit (see figure 7) includes the Fe-centre with three 4COOHTz ligands, one crystallographic independent BF4 --anion, as well as half of the Et2O-solvate. The Fe-N distances of the three coordinated ligands are slightly different (1.961 Å (N4), 1.979 Å (N4a) and 1.989 Å (N4b), see 36 In figure 10, the IR spectra of 2COOHTz (1) and its ClO4 --complex (7) in the HSstate (red) and LS-state (blue) are compared. At 3156 cm -1 the free ligand shows its tetrazolic CH-vibration, which upon successful coordination is split and shifted to 3159 cm -1 and 3152 cm -1 .…”
Section: Variable Temperature P-xrd Of Bulk (4) and (7)mentioning
confidence: 99%