Theoretical study of soliton dynamics of a finite one-dimensional hydrogen-bonded system

1986 ◽  
Vol 107 (2-3) ◽  
pp. 389-396 ◽  
Author(s):  
Yoshiki Kashimori ◽  
Fuchun Chien ◽  
Kichisuke Nishimoto
Keyword(s):  
Theoretical Study ◽  
One Dimensional ◽  
Soliton Dynamics ◽  
Hydrogen Bonded

Theoretical study of the susceptibility of nearly one-dimensional VF2

1978 ◽  
Vol 27 (11) ◽  
pp. 1079-1081 ◽  
Author(s):  
S. Konishi ◽  
K. Motizuki
Keyword(s):  
Theoretical Study ◽  
One Dimensional

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea

2016 ◽  
Vol 72 (9) ◽  
pp. 692-696 ◽  
Author(s):  
Christina A. Capacci-Daniel ◽  
Jeffery A. Bertke ◽  
Shoaleh Dehghan ◽  
Rupa Hiremath-Darji ◽  
Jennifer A. Swift
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Structural Motif ◽  
Parallel Orientation ◽  
One Dimensional ◽  
Monoclinic Form ◽  
Engineering Studies ◽  
Hydrogen Bonded

Hydrogen bonding between urea functionalities is a common structural motif employed in crystal-engineering studies. Crystallization of 1,3-bis(3-fluorophenyl)urea, C13H10F2N2O, from many solvents yielded concomitant mixtures of at least two polymorphs. In the monoclinic form, one-dimensional chains of hydrogen-bonded urea molecules align in an antiparallel orientation, as is typical of many diphenylureas. In the orthorhombic form, one-dimensional chains of hydrogen-bonded urea molecules have a parallel orientation rarely observed in symmetrically substituted diphenylureas.

Soliton dynamics in the one-dimensional antiferromagnet TMMC [(CD3)4NMnCl3]

Physica B+C ◽  
1983 ◽  
Vol 120 (1-3) ◽  
pp. 241-249 ◽  
Author(s):  
J.P. Boucher ◽  
L.P. Regnault ◽  
J. Rossat-Mignod ◽  
J.P. Renard ◽  
J. Bouillot ◽  
...  
Keyword(s):  
One Dimensional ◽  
Soliton Dynamics ◽  
The One

Fibriform one-dimensional hydrogen-bonded network composed of 1,2-alt calix[4]arene tetra acetic acid

2005 ◽  
Vol 29 (11) ◽  
pp. 1390 ◽  
Author(s):  
Wei Wang ◽  
Shuling Gong ◽  
Yuanyin Chen ◽  
Jianpin Ma
Keyword(s):  
Acetic Acid ◽  
One Dimensional ◽  
Hydrogen Bonded

scholarly journals Spin-filter state of Au-Co nanowires

2018 ◽  
Vol 185 ◽  
pp. 01019
Author(s):  
Ekaterina Smelova ◽  
Kseniya Tsysar ◽  
Alexander Saletsky
Keyword(s):  
Bias Voltage ◽  
Atomic Structure ◽  
Spin Transport ◽  
Theoretical Study ◽  
Transmission Spectra ◽  
Spin Filter ◽  
Quantum Conductance ◽  
One Dimensional ◽  
Control Capability ◽  
Co Nanowires

Our theoretical study reveals the dependence of quantum conductance of Au-Co nanowires on their atomic structure. The results show the emergence of spin-filter state in one-dimensional Au-Co bimetallic nanowires. We found the existence of two transmission regime in Au-Co nanowires with low and high conductivity 1G0 and 2G0 for “zig-zag” and linear nanowire correspondingly. The study of transmission spectra of Au-Co nanowires reveals the control capability of spin transport regime by changing of bias voltage between bulk electrodes.

Syntheses and crystal structures of two magnesium–tetrazole compounds in salt and polymeric forms

2015 ◽  
Vol 71 (3) ◽  
pp. 222-228 ◽  
Author(s):  
Mohamed Abdellatif Bensegueni ◽  
Aouatef Cherouana ◽  
Slimane Dahaoui
Keyword(s):  
Alkaline Earth ◽  
Three Dimensional ◽  
Polymer Chains ◽  
Magnesium Ion ◽  
Water Molecules ◽  
Compound I ◽  
Hydrothermal Conditions ◽  
One Dimensional ◽  
Polymeric Chains ◽  
Hydrogen Bonded

Two alkaline earth–tetrazole compounds, namelycatena-poly[[[triaquamagnesium(II)]-μ-5,5′-(azanediyl)ditetrazolato-κ3N1,N1′:N5] hemi{bis[μ-5,5′-(azanediyl)ditetrazolato-κ3N1,N1′:N2]bis[triaquamagnesium(II)]} monohydrate], {[Mg(C2HN9)(H2O)3][Mg2(C2HN9)2(H2O)6]0.5·H2O}n, (I), and bis[5-(pyrazin-2-yl)tetrazolate] hexaaquamagnesium(II), (C5H3N6)[Mg(H2O)6], (II), have been prepared under hydrothermal conditions. Compound (I) is a mixed dimer–polymer based on magnesium ion centres and can be regarded as the first example of a magnesium–tetrazolate polymer in the crystalline form. The structure shows a complex three-dimensional hydrogen-bonded network that involves magnesium–tetrazolate dimers, solvent water molecules and one-dimensional magnesium–tetrazolate polymeric chains. The intrinsic cohesion in the polymer chains is ensured by N—H...N hydrogen bonds, which formR22(7) rings, thus reinforcing the propagation of the polymer chain along theaaxis. The crystal structure of magnesium tetrazole salt (II) reveals a mixed ribbon of hydrogen-bonded rings, of typesR22(7),R22(9) andR24(10), running along thecaxis, which are linked byR24(16) rings, generating a 4,8-cflunet.

Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks

2012 ◽  
Vol 68 (5) ◽  
pp. o188-o194 ◽  
Author(s):  
Andreas Lemmerer ◽  
Manuel A. Fernandes
Keyword(s):  
Hydrogen Bonds ◽  
Structural Study ◽  
Two Dimensional ◽  
One Dimensional ◽  
Dimensional Network ◽  
Polymorphic Forms ◽  
Whole Molecule Disorder ◽  
Hydrogen Bonded

Six ammonium carboxylate salts, namely cyclopentylammonium cinnamate, C5H12N+·C9H7O2−, (I), cyclohexylammonium cinnamate, C6H14N+·C9H7O2−, (II), cycloheptylammonium cinnamate form I, C7H16N+·C9H7O2−, (IIIa), and form II, (IIIb), cyclooctylammonium cinnamate, C8H18N+·C9H7O2−, (IV), and cyclododecylammonium cinnamate, C12H26N+·C9H7O2−, (V), are reported. Salts (II)–(V) all have a 1:1 ratio of cation to anion and feature three N+—H...O−hydrogen bonds forming one-dimensional hydrogen-bonded columns consisting of repeatingR43(10) rings, while salt (I) has a two-dimensional network made up of alternatingR44(12) andR68(20) rings. Salt (III) consists of two polymorphic forms,viz.form I havingZ′ = 1 and form II withZ′ = 2. The latter polymorph has disorder of the cycloheptane rings in the two cations, as well as whole-molecule disorder of one of the cinnamate anions. A similar, but ordered,Z′ = 2 structure is seen in salt (IV).

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