Electrochemical Properties and Regioselectivity of Cyclopalladation of Chiral Ferrocenylimines Deriving from (S)-Ferrocenylethylamine

2013 ◽  
Vol 66 (2) ◽  
pp. 218 ◽  
Author(s):  
Zhigang Yin ◽  
Hengyu Qian ◽  
Quanling Wang ◽  
Huichao Dong ◽  
Shihai Yan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Electrochemical Properties ◽  
Phenyl Ring ◽  
Experimental Results ◽  
Computational Studies ◽  
X Ray ◽  
A Minor ◽  
Good Agreement

Treatment of a cyclopalladated complex derived from chiral ferrocenylimine (η5-C5H5)Fe(η5-C5H4)–CH(CH3)–N=CH–2-C4H3S, (Sc)-1, with PPh3 produced the heteroannular palladacycle (Sc)-3 in which palladation occurred at the unsubstituted cyclopentadiene ring. While for (η5-C5H5)Fe(η5-C5H4)–CH(CH3)–N=CH–C6H5, (Sc)-4, cyclopalladation took place mainly at the phenyl ring; the heteroannular palladacycle (Sc)-6, as a minor product, was also obtained. Single crystal X-ray analysis, electrochemical, and computational studies have been performed, showing good agreement with experimental results.

Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies

2014 ◽  
Vol 14 (5) ◽  
pp. 2263-2281 ◽  
Author(s):  
Liliana Mazur ◽  
Katarzyna N. Jarzembska ◽  
Radosław Kamiński ◽  
Krzysztof Woźniak ◽  
Edyta Pindelska ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Solvent Effects ◽  
Solid State Nmr ◽  
Computational Studies ◽  
X Ray

L X-ray fluorescence cross sections in the atomic region 59 ≤ Z ≤ 82 excited by 16.58 keV photons

1996 ◽  
Vol 74 (5-6) ◽  
pp. 230-235 ◽  
Author(s):  
D. V. Rao ◽  
R. Cesareo ◽  
G. E. Gigante
Keyword(s):  
Excitation Energy ◽  
Least Squares ◽  
Cross Sections ◽  
Experimental Results ◽  
X Ray ◽  
Experimental Cross ◽  
Average Fluorescence ◽  
Good Agreement

LL, Lα, Lβ, and Lγ X-ray fluorescence cross sections for Pr, Sm, Gd, Dy, Ho, Er, Yb, Pt Au, and Pb were measured at the excitation energy 16.58 keV. An X-ray tube and a secondary excitor system was used instead of radioisotopes for the measurements. Experimental cross sections are compared with the theoretical estimates based on relativistic Dirac–Hartree–Slater theory. Average L-shell fluorescence yields [Formula: see text] are deduced using the present experimental cross sections and the theoretical subshell photoionization cross sections. The derived average fluorescence yields are fitted by least squares to polynomials in Z of the form ΣnanZn and compared with theoretical and earlier fitted values. Good agreement is observed ' between the experimental results and the theoretical estimates based on relativistic Dirac–Hartree–Slater theory.

Synthesis, Structure and Magnetism of ErCoIn5

2004 ◽  
Vol 848 ◽  
Author(s):  
Evan Lyle Thomas ◽  
Erin E. Erickson ◽  
Monica Moldovan ◽  
David P. Young ◽  
Julia Y. Chan
Keyword(s):  
Magnetic Properties ◽  
Electrical Resistivity ◽  
Magnetic Susceptibility ◽  
Single Crystal ◽  
Experimental Results ◽  
Flux Growth ◽  
X Ray Diffraction ◽  
Metallic Behavior ◽  
X Ray ◽  
Growth Method

AbstractA new member of the LnMIn5 family, ErCoIn5, has been synthesized by a flux-growth method. The structure of ErCoIn5 was determined by single crystal X-ray diffraction. It crystallizes in the tetragonal space group P4/mmm, Z = 1, with lattice parameters a = 4.5400(4) and c = 7.3970(7) Å, and V = 152.46(2) Å3. Electrical resistivity data show metallic behavior. Magnetic susceptibility measurements show this compound to be antiferromagnetic with TN = 5.1 K. We compare these experimental results with those of LaCoIn5 in an effort to better understand the effect of the structural trends observed on the transport and magnetic properties.

Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction

CrystEngComm ◽  
2021 ◽  
Author(s):  
Wei Meng ◽  
Lin Du ◽  
Lin Sun ◽  
Lian Zhou ◽  
Xiaopeng Xuan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Phenyl Ring ◽  
Functional Group ◽  
Variable Temperature ◽  
Molecular Motions ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Conformation Changes

One organic functional group was introduced to distinguish the four phenyl ring of tetraphenylethylene, and the In situ temperature-dependent crystal structures were determined to exhibit the conformation changes of tert-butyl...

meso-Aryl substituted free-base tripyrrins: preparation and electrochemically induced protonation/deprotonation reactions. Single crystal X-ray analysis of (2,6-diFPh)2TriPyH

RSC Advances ◽  
2015 ◽  
Vol 5 (117) ◽  
pp. 96769-96776 ◽  
Author(s):  
Ru Feng ◽  
Zhongping Ou ◽  
Zhaoli Xue ◽  
Yuanyuan Fang ◽  
Yang Song ◽  
...  
Keyword(s):  
Single Crystal ◽  
Electrochemical Properties ◽  
Free Base ◽  
Nonaqueous Media ◽  
X Ray

Three meso-substituted free-base tripyrrins were successfully isolated as side-products from the synthesis of triarylcorroles and characterized as to their electrochemical properties in nonaqueous media.

scholarly journals X-ray Single-Crystal Structural Analysis of a Magnetically Oriented Monoclinic Microcrystal Suspension of α-Glycine

Crystals ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 561 ◽  
Author(s):  
Tatsuya Tanaka ◽  
Chiaki Tsuboi ◽  
Kazuaki Aburaya ◽  
Fumiko Kimura ◽  
Masataka Maeyama ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Susceptibility ◽  
Single Crystal ◽  
Magnetic Energy ◽  
Powder Sample ◽  
Single Crystal Structure ◽  
X Ray ◽  
Crystal Structural ◽  
The Relationship ◽  
Good Agreement

We previously reported on a method for X-ray single-crystal structure determination from a powder sample via a magnetically oriented microcrystal suspension (MOMS). The method was successfully applied to orthorhombic microcrystals (L-alanine, P212121). In this study, we apply this method to monoclinic microcrystals. Unlike most of the orthorhombic MOMSs, monoclinic MOMSs exhibit two or four orientations with the same magnetic energy (we refer to this as twin orientations), making data processing difficult. In this paper, we perform a MOMS experiment for a powder sample of monoclinic microcrystal (α-glycine, P21/n) to show that our method can also be applied to monoclinic crystals. The single-crystal structure determined in this work is in good agreement with the reported one performed on a real single crystal. Furthermore, the relationship between the crystallographic and magnetic susceptibility axes is determined.

CHANNELING ENERGY LOSS IN SILICON BY USING NUMERICAL AND EXPERIMENTAL METHODS

2011 ◽  
Vol 25 (28) ◽  
pp. 2171-2181 ◽  
Author(s):  
OMAR EL BOUNAGUI ◽  
HASSANE ERRAMLI
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Energy Loss ◽  
Single Crystal ◽  
Experimental Methods ◽  
Silicon Single Crystal ◽  
Experimental Results ◽  
Monte Carlo Simulation Program ◽  
Shed Light ◽  
Good Agreement

A Monte Carlo simulation program was developed to calculate the variations of the channeled to random electronic stopping powers of He + in an energy 4 MeV in silicon single crystal along the major 〈100〉, 〈110〉 and 〈111〉 axes. This paper discusses both simulation and experimental results that shed light on the contribution of these factors. Results obtained by our simulation are in good agreement with the experimental results.

Finding a soft spot for vanadium: a P-bound OCP ligand

2019 ◽  
Vol 55 (42) ◽  
pp. 5966-5969 ◽  
Author(s):  
Lauren N. Grant ◽  
J. Krzystek ◽  
Balazs Pinter ◽  
Joshua Telser ◽  
Hansjörg Grützmacher ◽  
...  
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Computational Studies ◽  
Squid Magnetometry ◽  
X Ray Diffraction ◽  
Detailed Characterization ◽  
X Ray ◽  
Soft Spot

The first example of a P-bound phosphaethynolato ligand, [OCP]−, to an early 3d transition metal is presented, along with detailed characterization by single crystal X-ray diffraction, SQuID magnetometry, HFEPR spectroscopy, and computational studies.

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