Identifying the spin transition in Fe2+-rich MgSiO3 perovskite from X-ray diffraction and vibrational spectroscopy

2014 ◽  
Vol 99 (7) ◽  
pp. 1270-1276 ◽  
Author(s):  
R. Caracas ◽  
H. Ozawa ◽  
K. Hirose ◽  
H. Ishii ◽  
N. Hiraoka ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Spin Transition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mgsio3 Perovskite

Characterization of the inclusion complex of the essential oil of Lantana camara L. and β-cyclodextrin by vibrational spectroscopy, GC–MS, and X-ray diffraction

2018 ◽  
Vol 91 (1-2) ◽  
pp. 95-104 ◽  
Author(s):  
Márcio dos S. Rocha ◽  
Sidney G. de Lima ◽  
Bartolomeu C. Viana ◽  
José Galberto Martins Costa ◽  
Francisco E. P. Santos
Keyword(s):  
Essential Oil ◽  
Inclusion Complex ◽  
Vibrational Spectroscopy ◽  
Lantana Camara ◽  
X Ray Diffraction ◽  
X Ray

Synthèse et caractérisation des oxypentafluorouranates(VI) NH4UOF5, KUOF5, RbUOF5 et CsUOF5

1978 ◽  
Vol 56 (14) ◽  
pp. 1874-1880 ◽  
Author(s):  
Philippe Joubert ◽  
Roland Bougon ◽  
Bernard Gaudreau
Keyword(s):  
Infrared Spectroscopy ◽  
Solid State ◽  
Alkali Metal ◽  
Vibrational Spectroscopy ◽  
Uranium Atom ◽  
The Other ◽  
Metal Fluoride ◽  
X Ray Diffraction ◽  
X Ray ◽  
Raman And Infrared Spectroscopy

The oxypentafluorouranates(VI) MUOF5, where M = NH4, K, Rb, Cs, have been synthetized from reaction of UOF4 with the ammonium or corresponding alkali metal fluoride in liquid SO2. According to X-ray diffraction, Raman and infrared spectroscopy, and from an isomorphism with the corresponding hexafluorouranates(V) MUF6, two different environments around the uranium atom are observed. In CsUOF5 the five fluorine atoms and the oxygen around the uranium result in a pseudo-octahedral surrounding whereas for the other complexes (M = NH4, K, Rb) each uranium is surrounded by eight light atoms forming a dodecahedron. In this structure the dodecahedra are linked together by fluorine atoms to form infinite chains. The UOF5− ion has been characterized by vibrational spectroscopy in the solid state. The proposed assignment, which was made with the assumption of a C4v symmetry of the UOF5− ion, was confirmed by a force constant calculation. From these data and contrary to the values reported for comparable oxypentafluoroanions, the axial fluorine is found to be less ionic than the equatorial ones.

Structural Investigation of the Photoinduced Spin Transition in the [Fe(PM-BiA)2(NCS)2] Compound

2006 ◽  
Vol 112 ◽  
pp. 81-88 ◽  
Author(s):  
Kouhei Ichiyanagi ◽  
Johan Hebert ◽  
Loic Toupet ◽  
Hérve Cailleau ◽  
Eric Collet ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Low Temperature ◽  
High Spin ◽  
Thermal Equilibrium ◽  
Molecular Crystal ◽  
Structural Investigation ◽  
Spin Transition ◽  
X Ray Diffraction ◽  
Structural Reorganization ◽  
X Ray

We investigated the thermo- and photo-induced phase transitions between low spin (LS) and high spin (HS) states of the molecular crystal of [Fe(PM-BiA)2(NCS)2] in the orthorhombic form, by using X-ray diffraction. The structure of the photoinduced HS state, generated from the LS state at low temperature, is compared to the structures of the HS and LS phases at thermal equilibrium and to the thermally trapped HS state. The preliminary results presented here show that the structural reorganization is similar in the different HS states.

Synthesis and Characterization of a New Copper(II) Complex with Nadolol, an Aminoalcoholic Beta-blocker. Crystal Structure of Na[Cu(nadololate)(CO3)] · H2O

2008 ◽  
Vol 63 (5) ◽  
pp. 543-547 ◽  
Author(s):  
Inés Viera ◽  
Laura Domínguez ◽  
Javier Ellena ◽  
María H. Torre
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectroscopy ◽  
Copper Complex ◽  
Beta Blocker ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
X Ray

This work reports the synthesis and characterization of a new copper complex with nadolol, a betablocker aminoalcohol. The stoichiometry found was Na[Cu(nadololate)(CO3)] · H2O. Electronic and vibrational spectroscopy analysis was performed, and the crystal structure of Na[Cu(nadololate)-(CO3)] · H2O was determined by X-ray diffraction.

The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: high-resolution X-ray diffraction, vibrational spectroscopy and computational study

2019 ◽  
Vol 7 (18) ◽  
pp. 5497-5505
Author(s):  
Ievgen V. Odynets ◽  
Sergiy Khainakov ◽  
Santiago Garcia-Granda ◽  
Roman Gumeniuk ◽  
Matthias Zschornak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Visible Light ◽  
Crystal Lattice ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
X Ray Diffraction ◽  
Piezoelectric Semiconductor ◽  
X Ray

The crystal lattice of piezoelectric semiconductor Sr2Nb2V2O11 adopts Cc ordering due to Γ2− mode distortion.

Thermal expansion of mullite-type Bi2Al4O9: A study by X-ray diffraction, vibrational spectroscopy and density functional theory

2015 ◽  
Vol 229 ◽  
pp. 87-96 ◽  
Author(s):  
M. Mangir Murshed ◽  
Cecilia B. Mendive ◽  
Mariano Curti ◽  
Malik Šehović ◽  
Alexandra Friedrich ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Thermal Expansion ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray

Bis(imidazol-2-yl)phosphinic acid hemihydrate, [(C3H3N2)(C3H4N2)PO2].(1/2)H2O

1989 ◽  
Vol 67 (6) ◽  
pp. 1051-1060 ◽  
Author(s):  
Helen E. Howard-Lock ◽  
Colin J.L. Lock ◽  
Sarah Penny ◽  
Mary A. Turner
Keyword(s):  
Single Crystal ◽  
Vibrational Spectroscopy ◽  
Title Compound ◽  
Phosphinic Acid ◽  
Major Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
H Nmr ◽  
Zwitterionic Form

The title compound was obtained as the major product of our handling of the literature preparation of tris(imidazol-2-yl)phosphine. The compound was characterized by 1H NMR, mass and vibrational spectroscopy. The structure was determined by single crystal X-ray diffraction. Crystals were triclinic, [Formula: see text], a = 7.677(1), b = 12.658(2), c = 10.072(2) Å, α = 91.18(1),β = 114.44(1),γ = 99.49(1)°, Z = 4. Intensities were measured on a Syntex P21 diffractometer with MoKα radiation and 3088 reflections were used to determine the structure. R = 0.0698, Rw = 0.0534. The phosphinic acid exists in the solid as the zwitterionic form and bond lengths and angles are normal. Keywords: tris(imidazol-2-yl)phosphine, X-ray structure, bis(imidazol-2-yl)phosphinic acid hemihydrate.

Structure of 2-cyano-4-phenyl-glutarimide studied by X-ray diffraction, vibrational spectroscopy and ab initio methods

1998 ◽  
Vol 471 (1-3) ◽  
pp. 49-56 ◽  
Author(s):  
Dariusz C. Bieńko ◽  
Danuta Michalska ◽  
José I. Borrell ◽  
Jordi Teixidó ◽  
Josep L. Matallana ◽  
...  
Keyword(s):  
Ab Initio ◽  
Vibrational Spectroscopy ◽  
Ab Initio Methods ◽  
X Ray Diffraction ◽  
X Ray
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