scholarly journals Synthesis and structural study of precursors of novel methylsilanediols by IR and Raman spectroscopies, single-crystal X-ray diffraction and DFT calculations

2014 ◽  
Vol 118 ◽  
pp. 828-834 ◽  
Author(s):  
M.P.G. Rodríguez Ortega ◽  
M.L. Docampo ◽  
L.H. Thomas ◽  
M. Montejo ◽  
A. Marchal Ingraín ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Single Crystal ◽  
Structural Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ir And Raman Spectroscopies ◽  
Ir And Raman

Structural Study of an Unusual Diels-Alder Adduct

1992 ◽  
Vol 45 (12) ◽  
pp. 2089 ◽  
Author(s):  
EL Ghisalberti ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
Structural Study ◽  
Spectroscopic Studies ◽  
Diels Alder ◽  
X Ray Diffraction ◽  
X Ray ◽  
Naturally Occurring ◽  
Chemical Evidence ◽  
Alder Adduct

The structure of the compound obtained on heating the naturally occurring clerodane furanoditerpene (1) had been formulated as (2) on the basis of spectroscopic studies. A single-crystal X-ray diffraction study on the dihydro derivative of (2) has confirmed this and provides support for the stereochemistry previously assigned to (1) on the basis of chemical evidence.

scholarly journals Eightfold Electrophilic Methylation of Octacyanotungstate [W(CN)8]4−/3−: Preparation of Homoleptic, Eight-coordinate Methylisocyanide Complexes [W(CNMe)8]4+/5+

2021 ◽  
Author(s):  
Malte Sellin ◽  
Susanne Margot Rupf ◽  
Ulrich Abram ◽  
Moritz Malischewski
Keyword(s):  
Sulfur Dioxide ◽  
Single Crystal ◽  
Epr Spectroscopy ◽  
X Ray Diffraction ◽  
Liquid Sulfur ◽  
Methyl Fluoride ◽  
X Ray ◽  
First Time ◽  
Ir And Raman ◽  
Methyl Triflate

Homoleptic eight-fold coordinated methylisocyanide complexes of W(IV) and W(V) have been prepared for the first time. The reaction of [NBu4]4[W(CN)8] with methyl triflate MeOTf gives [W(CNMe)8][OTf]4. The even stronger methylating mixture of methyl fluoride MeF and arsenic pentafluoride AsF5 in liquid sulfur dioxide SO2 is able to fully alkylate both [NBu4]4[W(CN)8] and [NBu4]3[W(CN)8]. The paramagnetic octakis(methylisocyanide)- tungsten(V) [W(CNMe)8][AsF6]5 is thermally highly unstable above −30 °C. All compounds have been characterized via single-crystal X-ray diffraction, IR and Raman, as well as NMR or EPR spectroscopy<br>

Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data

2007 ◽  
Vol 63 (11) ◽  
pp. i186-i186 ◽  
Author(s):  
Stanislav Ferdov ◽  
Uwe Kolitsch ◽  
Christian Lengauer ◽  
Ekkehart Tillmanns ◽  
Zhi Lin ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Time ◽  
Ir And Raman ◽  
Bonding Scheme

The structure of the layered noncentrosymmetric titanosilicate AM-1 (also known as JDF-L1, disodium titanium tetrasilicate dihydrate), Na4Ti2Si8O22·4H2O, grown as small single crystals without the use of organics, has been refined from single-crystal X-ray diffraction data. The H atom has been located for the first time, and the hydrogen-bonding scheme is also characterized by IR and Raman spectroscopy. All atoms are in general positions except for the Na, the Ti, one Ti-bound O, one Si-bound O and the water O atoms (site symmetries 2, 4, 4, 2 and 2, respectively).

An NMR and single-crystal X-ray diffraction structural study of RuII [12]aneS4 polypyridyl complexes

Polyhedron ◽  
1997 ◽  
Vol 16 (19) ◽  
pp. 3293-3304 ◽  
Author(s):  
Brian J. Goodfellow ◽  
Sara M.D. Pacheco ◽  
Julio Pedrosa de Jesus ◽  
Vitor Félix ◽  
Michael G.B. Drew
Keyword(s):  
Single Crystal ◽  
Structural Study ◽  
X Ray Diffraction ◽  
Polypyridyl Complexes ◽  
X Ray

Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium

2017 ◽  
Vol 46 (8) ◽  
pp. 2415-2419 ◽  
Author(s):  
Stephan Gießmann ◽  
Volker Lorenz ◽  
Phil Liebing ◽  
Liane Hilfert ◽  
Axel Fischer ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structural Study ◽  
X Ray Diffraction ◽  
X Ray

The first metallasilsesquioxanes comprising potassium and uranium have been synthesized and structurally characterized by single-crystal X-ray diffraction.

scholarly journals Synthesis, Crystal Structure, and DFT Calculations of 1,3-Diisobutyl Thiourea

2015 ◽  
Vol 2015 ◽  
pp. 1-5 ◽  
Author(s):  
Ataf A. Altaf ◽  
Adnan Shahzad ◽  
Zarif Gul ◽  
Sher A. Khan ◽  
Amin Badshah ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Single Crystal ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Model Support

1,3-Diisobutyl thiourea was synthesized and characterized by single crystal X-ray diffraction. It gives a monoclinic (α=γ= 90 andβ  ≠90) structure with the space group P21/c. The unit cell dimensions area= 11.5131 (4) Å,b= 9.2355 (3) Å,c= 11.3093 (5) Å,α= 90°,β= 99.569° (2),γ= 90°,V= 1185.78 (8) Å3, andZ= 4. The crystal packing is stabilized by intermolecular (N–H⋯S) hydrogen bonding in the molecules. The optimized geometry and Mullikan's charges of the said molecule calculated with the help of DFT using B3LYP-6-311G model support the crystal structure.

Sign in / Sign up

Export Citation Format

Share Document