Molecular conformation and electronic structure. Solid-state spectrum of a planar anil

1972 ◽  
Vol 94 (9) ◽  
pp. 3247-3249 ◽  
Author(s):  
C. J. Eckhardt ◽  
J. Bernstein
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Molecular Conformation ◽  
Solid State Spectrum

Spektralreines Bis(phthalocyaninato)protactinium(IV) / Spectroscopically Pure Bis(phthalocyaninato)protactinium(IV)

1980 ◽  
Vol 35 (5) ◽  
pp. 564-567 ◽  
Author(s):  
Franz Lux ◽  
Oskar F. Beck ◽  
Heinz Krauß ◽  
David Brown ◽  
Tze C. Tso
Keyword(s):  
Solid State ◽  
Temperature Profile ◽  
Powder Diffraction ◽  
Phthalic Acid ◽  
Room Temperature ◽  
X Ray ◽  
Derivative Spectroscopy ◽  
Solid State Spectrum

Abstract Spectroscopically pure PaPc2 has been prepared by reaction between PaI4 · 4 CH3CN and o-phthalic acid dinitrile in 1-chloronaphthalene followed by sublimation at 5 · 10-3 Pa in a temperature profile with three clearly defined zones (520 °C/350 °C/room temperature). This procedure gives a product almost completely free of H2Pc impurity which is known to have been present in previously reported complexes of the type AnPc2. Thus, the trace of H2Pc in the substance could only be detected by derivative spectroscopy. X-ray powder diffraction shows the compound to be isostructural with ThPc2 and UPc2. The ligand spectrum is typical of AnPc2 complexes, f-f Bands observed in a solid state spectrum provide additional proof that the compound is PaIV Pc2.

ChemInform Abstract: Electronic Structure of Thiacyanine Dyes (I) in the Solid State

ChemInform ◽  
1989 ◽  
Vol 20 (35) ◽  
Author(s):  
T. B. TANG ◽  
H. YAMAMOTO ◽  
K. IMAEDA ◽  
H. INOKUCHI ◽  
K. SEKI ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State

First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

2017 ◽  
Vol 136 (2) ◽  
Author(s):  
Jesús Muñiz ◽  
Christian Celaya ◽  
Ana Mejía-Ozuna ◽  
Ana Karina Cuentas-Gallegos ◽  
L. M. Mejía-Mendoza ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
First Principles ◽  
First Principles Study ◽  
Solid State Devices ◽  
Carbon Substrates ◽  
Structure Properties

scholarly journals 1-[N-Methyl-N-(Phenyl)amino]-3- (4-Methylphenyl)Thiourea

Molbank ◽  
10.3390/m1052 ◽  
2019 ◽  
Vol 2019 (1) ◽  
pp. M1052 ◽  
Author(s):  
Chien Yeo ◽  
Edward Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Title Compound ◽  
Molecular Conformation ◽  
Phenyl Hydrazine ◽  
X Ray ◽  
X Ray Crystallography

The title compound, 1-[N-methyl-N-(phenyl)amino]-3-(4-methylphenyl)thiourea (1), was synthesized by the reaction of 1-methyl-1-phenyl hydrazine and 4-tolyl isothiocyanate, and was characterized by spectroscopy (1H and 13C{1H} NMR, IR, and UV), elemental analysis as well as by single crystal X-ray crystallography. In the solid state, the molecule exists as the thioamide tautomer and features an anti-disposition of the thioamide–N–H atoms; an intramolecular N–H⋯N hydrogen bond is noted. The molecular conformation resembles that of the letter L. In the molecular packing, thioamide-N1–H⋯S1(thione) hydrogen bonds lead to centrosymmetric eight-membered {⋯HNCS}2 synthons. The dimers are assembled into a supramolecular layer in the bc-plane by phenyl- and methyl-C–H⋯π(phenyl) interactions.

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