Vibrational spectrum of the spin crossover complex [Fe(phen)2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations

2006 ◽  
Vol 8 (40) ◽  
pp. 4685-4693 ◽  
Author(s):  
Kate L. Ronayne ◽  
Hauke Paulsen ◽  
Andreas Höfer ◽  
Andrew C. Dennis ◽  
Juliusz A. Wolny ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Vibrational Spectrum ◽  
Dft Calculations ◽  
Inelastic Scattering ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering ◽  
Ir And Raman Spectroscopy ◽  
Ir And Raman

The Danger of Relying on Database Spectra

2018 ◽  
Vol 72 (8) ◽  
pp. 1272-1276 ◽  
Author(s):  
Johannes Kiefer
Keyword(s):  
Raman Spectroscopy ◽  
Vibrational Spectrum ◽  
Dimethyl Sulfoxide ◽  
Experimental Spectrum ◽  
Ir And Raman Spectroscopy ◽  
Ir And Raman

With the availability of easy-to-use commercial instrumentation for infrared (IR) and Raman spectroscopy, the number of users is growing very fast. Even in labs in which no personnel with experience in spectroscopy is around, spectra can be recorded and analyzed. However, for an inexperienced person it is virtually impossible to check whether a spectrum is plausible. In this Note, it is demonstrated that even comparing an experimental spectrum with data from a database may lead to significant errors. The vibrational spectrum of dimethyl sulfoxide (DMSO) is presented as an example.

scholarly journals Vibrational properties and cooperativity of the 3D spin crossover network [Fe(pyrazine)][Pt(CN)4]

2019 ◽  
Vol 48 (41) ◽  
pp. 15625-15634 ◽  
Author(s):  
Tim Hochdörffer ◽  
Aleksandr I. Chumakov ◽  
Hans-Christian Wille ◽  
Volker Schünemann ◽  
Juliusz A. Wolny
Keyword(s):  
Dft Calculations ◽  
Inelastic Scattering ◽  
High Spin ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering ◽  
Vibrational Properties

Nuclear inelastic scattering experiments and DFT calculations have been performed to explore the vibrational properties and molecular modes for the high-spin and low-spin phases of the spin crossover network [Fe(pyrazine)][Pt(CN)4].

Spin- and phase transition in the spin crossover complex [Fe(ptz)6](BF4)2 studied by nuclear inelastic scattering of synchrotron radiation and by DFT calculations

2006 ◽  
Vol 429 (1-3) ◽  
pp. 189-193 ◽  
Author(s):  
Lars H. Böttger ◽  
Aleksandr I. Chumakov ◽  
C. Matthias Grunert ◽  
Philipp Gütlich ◽  
Joachim Kusz ◽  
...  
Keyword(s):  
Phase Transition ◽  
Synchrotron Radiation ◽  
Dft Calculations ◽  
Inelastic Scattering ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering

Investigation of the low-spin to high-spin transition in a novel [Fe(pmea)(NCS)2] complex by IR and Raman spectroscopy and DFT calculations

2006 ◽  
Vol 37 (1-3) ◽  
pp. 108-122 ◽  
Author(s):  
Georg Brehm ◽  
Markus Reiher ◽  
Boris Le Guennic ◽  
Michael Leibold ◽  
Siegfried Schindler ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Dft Calculations ◽  
High Spin ◽  
Spin Transition ◽  
Ir And Raman Spectroscopy ◽  
Ir And Raman

Characterisation of essential oil plants from Turkey by IR and Raman spectroscopy

2005 ◽  
Vol 39 (2) ◽  
pp. 249-256 ◽  
Author(s):  
Hartwig Schulz ◽  
Gülcan Özkan ◽  
Malgorzata Baranska ◽  
Hans Krüger ◽  
Musa Özcan
Keyword(s):  
Raman Spectroscopy ◽  
Essential Oil ◽  
Ir And Raman Spectroscopy ◽  
Ir And Raman
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