On the heavy atom on light atom relativistic effect in the NMR shielding constants of phosphine tellurides

2019 ◽  
Vol 57 (12) ◽  
pp. 1071-1083 ◽  
Author(s):  
Irina L. Rusakova ◽  
Yuriy Yu. Rusakov
Keyword(s):  
Relativistic Effect ◽  
Heavy Atom ◽  
Light Atom ◽  
Shielding Constants

Triplet photochemistry within zeolites through heavy atom effect, sensitization and light atom effect

Tetrahedron ◽  
2003 ◽  
Vol 59 (30) ◽  
pp. 5763-5772 ◽  
Author(s):  
K Pitchumani ◽  
M Warrier ◽  
Lakshmi S Kaanumalle ◽  
V Ramamurthy
Keyword(s):  
Heavy Atom ◽  
Light Atom ◽  
Heavy Atom Effect ◽  
Atom Effect

Effects of Ion Irradiation on Supported Carbon Nanotubes and Nanotube-Substrate Interfaces

2001 ◽  
Vol 706 ◽  
Author(s):  
A. V. Krasheninnikov ◽  
K. Nordlund ◽  
J. Keinonen
Keyword(s):  
Carbon Nanotubes ◽  
Ion Irradiation ◽  
Heavy Atom ◽  
Light Atom ◽  
Defect Production ◽  
Defect Migration ◽  
Metal Atoms ◽  
Induced Defects ◽  
Irradiation Induced Defects ◽  
Carbon Network

AbstractWe employ molecular dynamics to study the effects of ion irradiation on carbon nanotubes lying on different substrates. We show that defect production depends on the type of the substrate and that the damage is higher for metallic heavy-atom substrates than for light-atom substrates, since in the former case sputtered metal atoms and backscattered recoils produce extra damage in the nanotube. We further study the behavior of defects and demonstrate that although ions may severely damage nanotubes in a local region, the nanotube carbon network can heal such a strong localized damage due to defect migration and dangling bond saturation. Finally, we predict the pinning of nanotubes to substrates by forming nanotube-substrate bonds which appear near irradiation-induced defects.

The Influence of a Presence of a Heavy Atom on 13C Shielding Constants in Organomercury Compounds and Halogen Derivatives

2013 ◽  
Vol 9 (4) ◽  
pp. 1909-1917 ◽  
Author(s):  
Artur Wodyński ◽  
Adam Gryff-Keller ◽  
Magdalena Pecul
Keyword(s):  
Heavy Atom ◽  
Shielding Constants ◽  
Organomercury Compounds

Darstellung und Kristallstruktur von Di-gold(III)bis(selenit)oxid, Au2(SeO3)2O / Preparation and Crystal Structure of Di-gold(III) Bis(selenite) Oxide, Au2(SeO3)2O

1983 ◽  
Vol 38 (1) ◽  
pp. 10-11 ◽  
Author(s):  
Peter G. Jones ◽  
George M. Sheldrick ◽  
Einhard Schwarzmann ◽  
Andreas Vielmäder
Keyword(s):  
Crystal Structure ◽  
Heavy Atom ◽  
Polar Space ◽  
Light Atom ◽  
Space Group ◽  
Extended Structure ◽  
Selenic Acid ◽  
Oxide Ions

Abstract Au2(SeO2)2O was prepared from gold and excess selenic acid in a sealed tube at 533 K. The crystal structure [Pba2, a = 659.2(2), b = 1183.7(3), c = 399.8(1) pm, Z = 2,R = 0.087] was determined; gold atoms are bridged by oxide ions (lying on twofold axes) and selenite ions. The extended structure consists of polymeric layers parallel to the xy-plane. The light atom positions are inaccurate because of the presence of a heavy atom in a polar space group.

scholarly journals Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I − Hydrogen Bond

2020 ◽  
Vol 26 (40) ◽  
pp. 8669-8669 ◽  
Author(s):  
Jan Vícha ◽  
Petr Švec ◽  
Zdeňka Růžičková ◽  
Maksim A. Samsonov ◽  
Kateřina Bártová ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shifts ◽  
Heavy Atom ◽  
Spin Orbit ◽  
Light Atom ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Theoretical Evidence

scholarly journals Front Cover: Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I − Hydrogen Bond (Chem. Eur. J. 40/2020)

2020 ◽  
Vol 26 (40) ◽  
pp. 8665-8665
Author(s):  
Jan Vícha ◽  
Petr Švec ◽  
Zdeňka Růžičková ◽  
Maksim A. Samsonov ◽  
Kateřina Bártová ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shifts ◽  
Heavy Atom ◽  
Spin Orbit ◽  
Light Atom ◽  
Front Cover ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Theoretical Evidence

Relativistic Spin–Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained

2018 ◽  
Vol 14 (6) ◽  
pp. 3025-3039 ◽  
Author(s):  
Jan Vícha ◽  
Stanislav Komorovsky ◽  
Michal Repisky ◽  
Radek Marek ◽  
Michal Straka
Keyword(s):  
Periodic Table ◽  
Chemical Shifts ◽  
Heavy Atom ◽  
Spin Orbit ◽  
Light Atom ◽  
Nmr Chemical Shifts ◽  
Relativistic Spin

Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I − Hydrogen Bond

2020 ◽  
Vol 26 (40) ◽  
pp. 8698-8702 ◽  
Author(s):  
Jan Vícha ◽  
Petr Švec ◽  
Zdeňka Růžičková ◽  
Maksim A. Samsonov ◽  
Kateřina Bártová ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shifts ◽  
Heavy Atom ◽  
Spin Orbit ◽  
Light Atom ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Theoretical Evidence

Isomorphous replacement in electron diffraction of wet crystals of rat hemoglobin

1983 ◽  
Vol 41 ◽  
pp. 446-447
Author(s):  
William F. Tivol ◽  
Murray Vernon King ◽  
D. F. Parsons
Keyword(s):  
Electron Diffraction ◽  
Heavy Atom ◽  
Isomorphous Substitution ◽  
X Ray Diffraction ◽  
Salt Solutions ◽  
X Ray ◽  
Isomorphous Replacement ◽  
Structure Factors ◽  
Diffraction Structure ◽  
The Mean

Feasibility of isomorphous substitution in electron diffraction is supported by a calculation of the mean alteration of the electron-diffraction structure factors for hemoglobin crystals caused by substituting two mercury atoms per molecule, following Green, Ingram & Perutz, but with allowance for the proportionality of f to Z3/4 for electron diffraction. This yields a mean net change in F of 12.5%, as contrasted with 22.8% for x-ray diffraction.Use of the hydration chamber in electron diffraction opens prospects for examining many proteins that yield only very thin crystals not suitable for x-ray diffraction. Examination in the wet state avoids treatments that could cause translocation of the heavy-atom labels or distortion of the crystal. Combined with low-fluence techniques, it enables study of the protein in a state as close to native as possible.We have undertaken a study of crystals of rat hemoglobin by electron diffraction in the wet state. Rat hemoglobin offers a certain advantage for hydration-chamber work over other hemoglobins in that it can be crystallized from distilled water instead of salt solutions.

A Base Specific Single Heavy Atom Stain for Electron Microscopy

1972 ◽  
Vol 30 ◽  
pp. 184-185
Author(s):  
J. P. Langmore ◽  
N. R. Cozzarelli ◽  
A. V. Crewe
Keyword(s):  
Electron Microscopy ◽  
Electron Microscope ◽  
High Resolution ◽  
Elastic Scattering ◽  
Heavy Atom ◽  
High Vacuum ◽  
Heavy Atoms ◽  
Large Movement ◽  
Base Sequencing ◽  
Scanning Electron

A system has been developed to allow highly specific derivatization of the thymine bases of DNA with mercurial compounds wich should be visible in the high resolution scanning electron microscope. Three problems must be completely solved before this staining system will be useful for base sequencing by electron microscopy: 1) the staining must be shown to be highly specific for one base, 2) the stained DNA must remain intact in a high vacuum on a thin support film suitable for microscopy, 3) the arrangement of heavy atoms on the DNA must be determined by the elastic scattering of electrons in the microscope without loss or large movement of heavy atoms.

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