Laser Raman and infrared spectra, and x-ray crystal structure of trans-di-tert-butyl hyponitrite

1982 ◽  
Vol 104 (19) ◽  
pp. 5114-5119 ◽  
Author(s):  
Craig A. Ogle ◽  
Karen A. Van der Kooi ◽  
G. David Mendenhall ◽  
Veerayooth Lorprayoon ◽  
Bahne C. Cornilsen
Keyword(s):  
Crystal Structure ◽  
Infrared Spectra ◽  
X Ray ◽  
Tert Butyl ◽  
Laser Raman

ChemInform Abstract: Laser Raman and IR Spectra, and X-Ray Crystal Structure of trans-Di-tert-butyl Hyponitrite (RG: P21/c, Z=2).

1982 ◽  
Vol 13 (51) ◽  
Author(s):  
C. A. OGLE ◽  
K. A. VANDERKOOI ◽  
G. D. MENDENHALL ◽  
V. LORPRAYOON ◽  
B. C. CORNILSEN
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
X Ray ◽  
Tert Butyl ◽  
Laser Raman ◽  
Raman And Ir Spectra

scholarly journals Crystal structure of propionitrile (CH3CH2CN) determined using synchrotron powder X-ray diffraction

2020 ◽  
Vol 27 (1) ◽  
pp. 212-216
Author(s):  
Helen E. A. Brand ◽  
Qinfen Gu ◽  
Justin A. Kimpton ◽  
Rebecca Auchettl ◽  
Courtney Ennis
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Solar System ◽  
Infrared Spectra ◽  
Lower Stratosphere ◽  
Computational Modelling ◽  
Outer Solar System ◽  
X Ray Diffraction ◽  
Near Surface ◽  
X Ray

The structure and thermal expansion of the astronomical molecule propionitrile have been determined from 100 to 150 K using synchrotron powder X-ray diffraction. This temperature range correlates with the conditions of Titan's lower stratosphere, and near surface, where propionitrile is thought to accumulate and condense into pure and mixed-nitrile phases. Propionitrile was determined to crystallize in space group, Pnma (No. 62), with unit cell a = 7.56183 (16) Å, b = 6.59134 (14) Å, c = 7.23629 (14), volume = 360.675 (13) Å3 at 100 K. The thermal expansion was found to be highly anisotropic with an eightfold increase in expansion between the c and b axes. These data will prove crucial in the computational modelling of propionitrile–ice systems in outer Solar System environments, allowing us to simulate and assign vibrational peaks in the infrared spectra for future use in planetary astronomy.

scholarly journals Azo-linked corner porphyrin systems: synthesis, crystal structures and spectroscopic investigation

2010 ◽  
Vol 14 (06) ◽  
pp. 481-493 ◽  
Author(s):  
Bruno Bašić ◽  
John C. McMurtrie ◽  
Dennis P. Arnold
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Spectroscopic Investigation ◽  
The Other ◽  
X Ray ◽  
Tert Butyl ◽  
Dinitro Derivative

1,2-bis[10,15-di(3,5-di-tert-butyl)phenylporphyrinatonickel(II)-5-yl]diazene was synthesised via copper-catalyzed coupling of aminated nickel(II) 5,10-diarylporphyrin ("corner porphyrin") and its X-ray crystal structure was determined. Two different crystals yielded different structures, one with the free meso-positions in a trans-like orientation, and the other with a cis-like disposition. The free meso-positions of the obtained dimer have been further functionalized while the synthesis of a zinc analog has so far been unsuccessful. The X-ray crystal structure of the dinitro derivative of the dinickel(II) azoporphyrin was determined, and the structure showed a cis-like disposition of the nitro groups.

Monomere Iodide von o-substituierten Aryl-Gallium- und Indiumverbindungen / Monomeric Iodides of o-Substituted Aryl Gallium and Indium Compounds

1996 ◽  
Vol 51 (1) ◽  
pp. 107-111 ◽  
Author(s):  
Anton Meller ◽  
Christoph Kümmel ◽  
Mathias Noltemeyer
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Nmr Spectra ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Tert Butyl ◽  
Elemental Analyses ◽  
Indium Compounds

Abstract Monomerie diiodides of 2,4,6-tri(tert-butyl)phenyl = (s-Mes), 2,4,6-triisopropylphenyl = (Trip)-and 2,4-di-tert-butyl-6-methylphenyl = (DBMP)-gallium and -indium were prepared by the reaction of the lithiated aryls with MI3 (M = Ga, In) in hexane/Et2O. s-MesInI2 (1), s-Mes2InI (2), s-MesGaI2 (3), s-Mes2GaI (4), Trip2InI (5) and (DBMP)2InI (6) were obtained and characterized by their mass and NMR spectra (1H, 13C), and/or by elemental analyses. An X-ray crystal structure analysis was carried out for 1.

Die Kristallstruktur von Tricarbonyl(2.6-di-tert-butyl-pyridin)chrom(0) bei 200 K / Crystal Structure of Tricarbonyl(2,6-di/tert-butyl-pyridine)chromium(0) at 200 K

1984 ◽  
Vol 39 (2) ◽  
pp. 213-216 ◽  
Author(s):  
Roland E. Schmidt ◽  
Werner Massa
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Pyridine Ring ◽  
Chromium Atom ◽  
Methyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Constants ◽  
Tert Butyl

Based on single crystal X-ray diffraction data the crystal structure of tricarbonyl(2,6-dwmbutyl- pyridine)chromium(0) has been determined at 200 K: space group P 21/n, Z = 4, lattice constants a = 680.6(5), b - 1383.3(10), c = 1763.0(16) pm, β = 96.53(8)°, refinement to Rw - 0.048 for 1672 independent reflections with FO > 2 σ. The chromium atom is η6π6- bonded to the essentially planar pyridine ring (Cr-C: 219-222 pm, Cr-N: 221 pm). The CO ligands show “eclipsed” orientation with respect to the 2, 4 and 6 position of the pyridine ring. Two CO groups fit into the gaps formed by two methyl groups of the tert-butyl substituents in 2 and 6 position, respectively. The results are discussed in context with related arene and λ3-phosphorine complexes

scholarly journals Tetranuclear Hetro-Metal [MnIII2NiII2] Complexes Involving Defective Double-Cubane Structure: Synthesis, Crystal Structures, and Magnetic Properties

2019 ◽  
Vol 5 (1) ◽  
pp. 14
Author(s):  
Yuki Suemitsu ◽  
Ryuji Matsunaga ◽  
Takashi Toyofuku ◽  
Yasunori Yamada ◽  
Masahiro Mikuriya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Crystal Structures ◽  
Infrared Spectra ◽  
Magnetic Measurements ◽  
Metal Core ◽  
X Ray ◽  
Structure Synthesis ◽  
Elemental Analyses

Tetranuclear hetero-metal MnIII2NiII2 complexes, [Mn2Ni2(L)4(OAc)2] (1) and [Mn2Ni2(L)4(NO3)2] (2) [H2L = N-(2-hydroxymethylphenyl)-5,6-benzosalicylideneimine], have been synthesized and characterized by X-ray crystal structure analyses, infrared spectra, and elemental analyses. The structure analyses revealed that the complexes have a defective double-cubane metal core connected by μ3-alkoxo bridges. Complexes consist of two bis-μ-alkoxo bridged MnIIINiII heteronuclear units making a dimer-of-dimers structure. The double-cubane cores are significantly distorted due to an effect of syn–syn mode acetato or nitrato bridges. Magnetic measurements indicate that weak antiferromagnetic interactions (Mn-Ni = −0.66 ~ −4.19 cm–1) are dominant in the hetero-metal core.

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