Vibrational spectra of metal-nitro complexes. II. Substituted halo complexes of platinum(IV)

1973 ◽  
Vol 26 (7) ◽  
pp. 1413 ◽  
Author(s):  
MJ Nolan ◽  
DW James
Keyword(s):  
Raman Spectra ◽  
Point Group ◽  
Factor Group ◽  
Group Symmetry ◽  
Infrared And Raman Spectra ◽  
Point Group Symmetry ◽  
Nitro Complexes ◽  
Site Group ◽  
Group Symmetries ◽  
Complex Ion

The infrared and Raman spectra of compounds forming the series given by [Pt(NO2)6-nCln]2- (n = 0-5) together with some of the analogous bromo and iodo compounds have been obtained. Most compounds were studied in the solid state, but the Raman spectra of solutions of some of the compounds were also obtained. The spectra were interpreted initially by considering the likely point group symmetry of the complex ion. Where details of the crystal structures were known, the site group and factor group symmetries were also considered.

scholarly journals Symmetry-extended counting rules for periodic frameworks

2014 ◽  
Vol 372 (2008) ◽  
pp. 20120029 ◽  
Author(s):  
S. D. Guest ◽  
P. W. Fowler
Keyword(s):  
Point Group ◽  
Factor Group ◽  
Unit Cell ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Space Group ◽  
Counting Rules ◽  
Periodic Frameworks ◽  
Explicit Expressions

A symmetry-adapted version of the Maxwell rule appropriate to periodic bar-and-joint frameworks is obtained, and is further extended to body-and-joint systems. The treatment deals with bodies and forces that are replicated in every unit cell, and uses the point group isomorphic to the factor group of the space group of the framework. Explicit expressions are found for the numbers and symmetries of detectable mechanisms and states of self-stress in terms of the numbers and symmetries of framework components. This approach allows detection and characterization of mechanisms and states of self-stress in microscopic and macroscopic materials and meta-materials. Illustrative examples are described. The notion of local isostaticity of periodic frameworks is extended to include point-group symmetry.

scholarly journals Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry

2016 ◽  
Vol 49 (1) ◽  
pp. 158-167 ◽  
Author(s):  
David W. Ritchie ◽  
Sergei Grudinin
Keyword(s):  
Protein Complexes ◽  
Complex Structure ◽  
Point Group ◽  
Arbitrary Point ◽  
Group Symmetry ◽  
Test Cases ◽  
Point Group Symmetry ◽  
Group Symmetries ◽  
The Given ◽  
Ab Inito

A novel fast Fourier transform-basedab initodocking algorithm calledSAMis presented, for building perfectly symmetrical models of protein complexes with arbitrary point group symmetry. The basic approach uses a novel and very fast one-dimensional symmetry-constrained spherical polar Fourier search to assemble cyclicCnsystems from a given protein monomer. Structures with higher-order (Dn,T,OandI) point group symmetries may be built using a subsequent symmetry-constrained Fourier domain search to assemble trimeric sub-units. The results reported here show that theSAMalgorithm can correctly assemble monomers of up to around 500 residues to produce a near-native complex structure with the given point group symmetry in 17 out of 18 test cases. TheSAMprogram may be downloaded for academic use at http://sam.loria.fr/.

Resonance Raman Spectra of Cu-tetrapyridinoporphyrazine

1974 ◽  
Vol 52 (16) ◽  
pp. 2851-2856 ◽  
Author(s):  
S. Sunder ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Point Group ◽  
Exciting Radiation ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Symmetry Species ◽  
Dilute Aqueous Solutions ◽  
Resonance Raman Spectra ◽  
Anomalous Polarization

Resonance Raman spectra of dilute aqueous solutions of Cu-tetrapyridinoporphyrazine have been obtained using a tunable dye and Ar+ lasers. Six bands in the spectra have anomalous depolarization ratios. This is the first observation of anomalous polarization in a molecule of C4h point group symmetry. Intensities and depolarization ratio, ρ1, of the observed bands are measured as a function of the wavelength of the exciting radiation. Bands are assigned to different symmetry species on the basis of the dispersion of their ρl values.

Raman-Spektren von SnJ4, GeJ4, TiBr4 und TiJ4 in flüssiger und kristalliner Phase / Raman Spectra of SnJ4, GeJ4, TiBr4, and TiJ4 in the Liquid and Crystalline Phase

1970 ◽  
Vol 25 (12) ◽  
pp. 1374-1381 ◽  
Author(s):  
W. Kiefer ◽  
H. W. Schrötter
Keyword(s):  
Raman Spectra ◽  
Ruby Laser ◽  
Detection System ◽  
Point Group ◽  
Visible Region ◽  
Group Symmetry ◽  
Pure Liquid ◽  
Electronic Detection ◽  
Polarization Studies ◽  
First Time

The Raman spectra of four molecules absorbing in the visible region (SnJ4, GeJ4, TiBr4, and TiJ4) are presented. They were excited with a quasi-continuous ruby laser and recorded with a special electronic detection system. Except for TiJ4, complete Raman spectra of crystal powder pellets could be obtained for the first time. The assignment reported by previous authors was confirmed by accurate polarization studies of solutions or pure liquid. The assignment is also in the solid state possible on the basis of Td point group symmetry. The fundamental vibrations of TiJ4 in solutions are: ν1 (A1) =162, ν2 (E) =51, ν3 (F2) =319 and ν4 (F2) Y = 67 cm-1

Gas Phase Spin Relaxation of ZX3Y Molecules in the Dipolar Approximation

1975 ◽  
Vol 53 (7) ◽  
pp. 723-738 ◽  
Author(s):  
B. C. Sanctuary ◽  
R. F. Snider
Keyword(s):  
Kinetic Theory ◽  
Gas Phase ◽  
Magnetic Relaxation ◽  
Dipolar Coupling ◽  
Point Group ◽  
Group Symmetry ◽  
Subsequent Paper ◽  
Point Group Symmetry ◽  
Proper Treatment ◽  
Gas Kinetic Theory

The gas kinetic theory of nuclear magnetic relaxation of a polyatomic gas, as formulated in the previous paper, is evaluated for ZX3Y molecules relaxing via a dipolar coupling Hamiltonian. Stress is given to a proper treatment of point group symmetry, here C3v, and the possibility of molecular inversion is included. The detailed formula for the spin traces is however restricted to X nuclei with spin 1/2. A subsequent paper uses these results to elucidate the structure of the high density dependence of T1 forCF3H.

Schwingungsspektren und Kraftkonstanten der Hexacyano-Komplexe des Mangan(I), Technetium(I) und Rhenium(I) / Vibrational Spectra and Force Constants of the Hexacyano Complexes of Mangan(l), Technicium(I) and Rhenium(l)

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1193-1196 ◽  
Author(s):  
W. Krasser ◽  
K. Schwochau
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Point Group ◽  
Force Constants ◽  
Irreducible Representations ◽  
Infrared And Raman Spectra ◽  
Valence Force ◽  
Valence Force Field ◽  
Complex Salts

The infrared and Raman spectra of the complex salts K5[Mn(CN)6], K5[Tc(CN)6] and K5[Re(CN)s] have been recorded in the range from 4000 to 40 cm-1. All expected fundamental vibrations have been observed and could be assigned to the irreducible representations of the sym­metry point group Oh . The calculation of the force constants is based on the concept of the generalized valence force field. The low CN-valence force constants indicate the relatively strong Π-bonding character of the metal carbon bond, which is especially pronounced for K5[Tc(CN)6).

scholarly journals Spin-reversal energy barriers of 305 K for Fe2+ d6 ions with linear ligand coordination

Nanoscale ◽  
2017 ◽  
Vol 9 (30) ◽  
pp. 10596-10600 ◽  
Author(s):  
Lei Xu ◽  
Ziba Zangeneh ◽  
Ravi Yadav ◽  
Stanislav Avdoshenko ◽  
Jeroen van den Brink ◽  
...  
Keyword(s):  
Solid State ◽  
Magnetic Anisotropy ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
State Matrix ◽  
Magnetic Anisotropy Energy ◽  
Spin Reversal ◽  
Ligand Coordination ◽  
Li Ion

A remarkably large magnetic anisotropy energy of 305 K is computed by quantum chemistry methods for divalent Fe2+ d6 substitutes at Li-ion sites with D6h point-group symmetry within the solid-state matrix of Li3N.

Infrared and Raman Spectra of 2,3-, 2,4-, and 2,5-Dimethylbenzonitriles

1986 ◽  
Vol 40 (7) ◽  
pp. 933-939 ◽  
Author(s):  
T. V. K. Sarma
Keyword(s):  
Raman Spectra ◽  
Vibration Mode ◽  
Point Group ◽  
Vibrational Analysis ◽  
Infrared And Raman Spectra

The infrared and Raman spectra of 2,3-, 2,4-, and 2,5-dimethylbenzonitriles are recorded in the regions 400 to 4000 cm−1 and 100 to 4000 cm−1, respectively. Depolarization measurements are also undertaken. Assuming a C, point group for all the molecules, vibrational analysis is carried out. The frequencies of the umbrella vibration (mode 11) are calculated, and the calculated values agree very well with the observed values.

Tunable double Weyl phonons driven by chiral point group symmetry

2021 ◽  
Vol 103 (10) ◽  
Author(s):  
Y. J. Jin ◽  
Z. J. Chen ◽  
X. L. Xiao ◽  
H. Xu
Keyword(s):  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry
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