Vibrational properties of the polymeric spin crossover (SCO) Fe(ii) complexes [{Fe(4-amino-1,2,4-triazole)3}X2]n: a nuclear inelastic scattering (NIS), Raman and DFT study

2012 ◽  
Vol 14 (42) ◽  
pp. 14650 ◽  
Author(s):  
Sergej Rackwitz ◽  
Juliusz A. Wolny ◽  
Kai Muffler ◽  
Klaus Achterhold ◽  
Rudolf Rüffer ◽  
...  
Keyword(s):  
Inelastic Scattering ◽  
Spin Crossover ◽  
Dft Study ◽  
Nuclear Inelastic Scattering ◽  
Vibrational Properties

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].

Nuclear inelastic scattering studies on a dinuclear iron(II) spin crossover complex

2013 ◽  
Vol 226 (1-3) ◽  
pp. 211-216 ◽  
Author(s):  
Isabelle Faus ◽  
Sergej Rackwitz ◽  
Juliusz A. Wolny ◽  
Markus Schmitz ◽  
Harald Kelm ◽  
...  
Keyword(s):  
Inelastic Scattering ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering ◽  
Dinuclear Iron

scholarly journals Nuclear inelastic scattering and density functional theory studies of a one-dimensional spin crossover [Fe(1,2,4-triazole)2(1,2,4-triazolato)](BF4) molecular chain

2017 ◽  
Vol 19 (29) ◽  
pp. 18880-18889 ◽  
Author(s):  
Kevin Jenni ◽  
Lena Scherthan ◽  
Isabelle Faus ◽  
Jennifer Marx ◽  
Cornelius Strohm ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Inelastic Scattering ◽  
Density Functional ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering ◽  
Spin States ◽  
Functional Theory ◽  
Vibrational Dynamics ◽  
One Dimensional ◽  
High Spin States

NIS experiments display the vibrational dynamics of the low- and high-spin states of the 1D spin crossover compound [Fe(trzH)2(trz)](BF4) (1).

Raman and nuclear inelastic scattering study of the lattice dynamics of the [Fe(H 2 B(pz) 2 ) 2 (phen)] spin crossover complex

2016 ◽  
Vol 653 ◽  
pp. 131-136 ◽  
Author(s):  
Sylvain Rat ◽  
Mirko Mikolasek ◽  
José Sánchez Costá ◽  
Aleksandr I. Chumakov ◽  
William Nicolazzi ◽  
...  
Keyword(s):  
Inelastic Scattering ◽  
Lattice Dynamics ◽  
Spin Crossover ◽  
Nuclear Inelastic Scattering ◽  
Scattering Study

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
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