scholarly journals Inelastic X-ray Scattering of a Transition-Metal Complex (FeCl4–): Vibrational Spectroscopy for All Normal Modes

2013 ◽  
Vol 52 (12) ◽  
pp. 6767-6769 ◽  
Author(s):  
Weibing Dong ◽  
Hongxin Wang ◽  
Marilyn M. Olmstead ◽  
James C. Fettinger ◽  
Jay Nix ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Vibrational Spectroscopy ◽  
Transition Metal Complex ◽  
Normal Modes ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Small-Angle X-Ray Scattering and Near-Infrared Vibrational Spectroscopy of Water Confined in Aerosol-OT Reverse Micelles

ChemPhysChem ◽  
2008 ◽  
Vol 9 (18) ◽  
pp. 2794-2801 ◽  
Author(s):  
Sangeetha Balakrishnan ◽  
Nadeem Javid ◽  
Hermann Weingärtner ◽  
Roland Winter
Keyword(s):  
Vibrational Spectroscopy ◽  
Small Angle ◽  
Reverse Micelles ◽  
Near Infrared ◽  
X Ray ◽  
Aerosol Ot ◽  
X Ray Scattering ◽  
Ray Scattering

Single-crystal x-ray and neutron diffraction studies of an .eta.2-dihydrogen transition-metal complex: trans-[Fe(.eta.2-H2)(H)(PPh2CH2CH2PPh2)2]BPh4

1989 ◽  
Vol 111 (24) ◽  
pp. 8823-8827 ◽  
Author(s):  
John S. Ricci ◽  
Thomas F. Koetzle ◽  
Maria T. Bautista ◽  
Theresa M. Hofstede ◽  
Robert H. Morris ◽  
...  
Keyword(s):  
Transition Metal ◽  
Neutron Diffraction ◽  
Metal Complex ◽  
Single Crystal ◽  
Transition Metal Complex ◽  
X Ray

Choline salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics

2016 ◽  
Vol 218 ◽  
pp. 39-49 ◽  
Author(s):  
Luana Tanzi ◽  
Michele Nardone ◽  
Paola Benassi ◽  
Fabio Ramondo ◽  
Ruggero Caminiti ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Vibrational Spectroscopy ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

The Effect of Thermal Vibrations on the Intensities of the Diffracted Beams

1997 ◽  
Author(s):  
Philip Coppens
Keyword(s):  
Electron Density ◽  
Normal Modes ◽  
Unit Cell ◽  
Thermal Motion ◽  
X Ray ◽  
X Ray Scattering ◽  
Point Motion ◽  
Unit Cells ◽  
Thermal Vibrations ◽  
Ray Scattering

The atoms in a crystal are vibrating with amplitudes determined by the force constants of the crystal’s normal modes. This motion can never be frozen out because of the persistence of zero-point motion, and it has important consequences for the scattering intensities. Since X-ray scattering (and, to a lesser extent, neutron scattering) is a very fast process, taking place on a time scale of 10−18 s, the photon-matter interaction time is much shorter than the period of a lattice vibration, which is of the order Thus, the recorded X-ray scattering pattern is the sum over the scattering of a large number of 1/v, or ≈10−13s. instantaneous states of the crystal. To an extremely good approximation, the scattering averaged over the instantaneous distributions is equivalent to the scattering of the time-averaged distribution of the scattering matter (Stewart and Feil 1980). The structure factor expression for coherent elastic Bragg scattering of X-rays may therefore be written in terms 〈ρ(r)〉, of the thermally averaged electron density: . . . F(H)=∫unit cell〈ρ(r)〉 exp (2πi H ·r) dr (2.1) . . . The smearing of the electron density due to thermal vibrations reduces the intensity of the diffracted beams, except in the forward |S| = 0 direction, for which all electrons scatter in phase, independent of their distribution. The reduction of the intensity of the Bragg peaks can be understood in terms of the diffraction pattern of a more diffuse electron distribution being more compact, due to the inverse relation between crystal and scattering space, discussed in chapter 1. The reduction in intensity due to thermal motion is accompanied by an increase in the incoherent elastic scattering, ensuring conservation of energy. In this respect, thermal motion is much like disorder, with the Bragg intensities representing the average distribution, and the deviations from the average appearing as a continuous, though not uniform, background, generally referred to as thermal diffuse scattering or TDS. A crystal with n atoms per unit cell has 3nN degrees of freedom, N being the number of unit cells in the crystal.

S4N4 und seine Derivate: α-FeCl3 · S4N4, ein Übergangsmetallkomplex mit dem S4N4-Ligand / S4N4 and its Derivatives: α-FeCl3 · S4N4, a Transition Metal Complex with the S4N4 Ligand

1980 ◽  
Vol 35 (7) ◽  
pp. 855-859 ◽  
Author(s):  
Ulf Thewalt
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Iron Atom ◽  
Transition Metal Complex ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The adduct α-FeCl3 · S4N4 has been prepared from FeCl3 and S4N4 in CCl4. The new compound crystallizes in the monoclinic space group P 21/c with Z = 4 and lattice parameters a = 6.360(2), b = 13.066(4), c = 12.686(5) Å, and β = 99.43(3)°. An X-ray analysis shows that the S4N4 ring is bonded via one of its nitrogen atoms to the iron atom of the FeCl3 group and that the four ligand atoms around the iron atom form a tetrahedron. The structure of the complex is similar to the known structure of BF3 · S4N4

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