scholarly journals Reply to the ‘‘Comment on ‘The relationship between shape resonances and bond lengths’ ’’

1987 ◽  
Vol 87 (5) ◽  
pp. 3255-3256 ◽  
Author(s):  
M. N. Piancastelli ◽  
D. W. Lindle ◽  
T. A. Ferrett ◽  
D. A. Shirley
Keyword(s):  
Bond Lengths ◽  
The Relationship ◽  
Shape Resonances

scholarly journals The relationship between shape resonances and bond lengths

1987 ◽  
Vol 86 (5) ◽  
pp. 2765-2771 ◽  
Author(s):  
M. N. Piancastelli ◽  
D. W. Lindle ◽  
T. A. Ferrett ◽  
D. A. Shirley
Keyword(s):  
Bond Lengths ◽  
The Relationship ◽  
Shape Resonances

N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular–electronic and supramolecular structures

2000 ◽  
Vol 56 (5) ◽  
pp. 882-892 ◽  
Author(s):  
J. N. Low ◽  
M. D. López ◽  
P. Arranz Mascarós ◽  
J. Cobo Domingo ◽  
M. L. Godino ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Computational Modelling ◽  
Carboxyl Groups ◽  
Molecular Electronic ◽  
Database Analysis ◽  
Intermolecular Hydrogen Bonds ◽  
Bond Lengths ◽  
The Relationship ◽  
Derivatives Of

In each of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)valine, C10H15N5O4 (3) (orthorhombic, P212121), N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)serine monohydrate, C8H11N5O5·H2O (4) (orthorhombic, P212121), and N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)threonine, C9H13N5O5(5) (monoclinic, P21), the C-nitroso fragments exhibit almost equal C—N and N—O bond lengths: the C—N range is 1.315 (3)–1.329 (3) Å and the N—O range is 1.293 (3)–1.326 (3) Å. In each compound there are also very short intermolecular O—H...O hydrogen bonds, in which carboxyl groups act as hydrogen-bond donors to the nitrosyl O atoms: the O...O distances range from 2.440 (2) to 2.504 (4) Å and the O—H...O angles lie between 161 and 163°. An interpretation of the relationship between the unusual intramolecular bond lengths and the very short intermolecular hydrogen bonds has been developed based on database analysis and computational modelling. In each of (3)–(5) there is an extensive network of intermolecular hydrogen bonds, generating three-dimensional frameworks in (3) and (5), and two-dimensional sheets in (4).

STUDY OF INVARIANT Tc IN HIGHER DOPING LEVEL Y1-xCaxBa2-xLaxCu3Oy

2005 ◽  
Vol 19 (01n03) ◽  
pp. 307-309 ◽  
Author(s):  
X. F. SUN ◽  
H. L. DU ◽  
X. F. RUI ◽  
L. ZHANG ◽  
F. WANG ◽  
...  
Keyword(s):  
Structural Change ◽  
Carrier Concentration ◽  
Doping Level ◽  
Narrow Range ◽  
Bond Lengths ◽  
The Relationship

The higher doping level Y 1-x Ca x Ba 2-x La x Cu 3 O y samples were synthesized with x from 0.25 to 0.55. Structure and superconductivity have been investigated. Comparing with the results of lower doping level, the Tc of these samples keeps almost constant when dopant increasing. While some structural characters, such as Cu (1)- O (4), Cu (2)- O (4) bond lengths change randomly in a narrow range. The relationship between Ba / La position and Tc is rather interesting. The results give another evidence that the influence of structural change on superconductivity is independent of carrier concentration.

Charge Transfer and Bond Lengths in YBa2Cu3−xMxO6+y

1989 ◽  
Vol 156 ◽  
Author(s):  
P. F. Miceli ◽  
J. M. Tarascon ◽  
L. H. Greene ◽  
P. Barboux ◽  
J. D. Jorgensen ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Neutron Scattering ◽  
Bond Valence ◽  
Bond Lengths ◽  
The Relationship

ABSTRACTWe discuss the effects of doping on the Cu chain sites in YBa2Cu3−xMxO6+y. The relationship between bond lengths obtained from neutron scattering and charge transfer is evaluated in terms of bond valence. In particular, it is concluded that removing an oxygen from the chains transfers one electron to the planes.

Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes

2019 ◽  
Vol 48 (21) ◽  
pp. 7242-7248
Author(s):  
Ronglin Pang ◽  
Junxia Li ◽  
Zhongzheng Cui ◽  
Cheng Zheng ◽  
Zhifang Li ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Bond Lengths ◽  
Secondary Amino ◽  
The Relationship ◽  
Electron Effects

A series of 1,2-N-substituted o-carboranes were obtained. Ultra-long C–C distances were found in the secondary-amino o-carboranes 3. The relationship between C–C bond lengths and the electron effects of the benzyl groups was discussed.

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