Induced Dipole Moments of Inorganic Complex Ions

1964 ◽  
Vol 68 (8) ◽  
pp. 2052-2057
Author(s):  
Reiner Kollrack
Keyword(s):  
Dipole Moments ◽  
Complex Ions ◽  
Inorganic Complex ◽  
Induced Dipole

Intensity of the Pressure-Induced Fundamental Infrared Band of Gaseous Chlorine

1973 ◽  
Vol 51 (6) ◽  
pp. 696-697 ◽  
Author(s):  
P. T. T. Wong ◽  
E. Whalley
Keyword(s):  
Dipole Moments ◽  
Good Evidence ◽  
Transition Moment ◽  
Infrared Band ◽  
Fundamental Band ◽  
Induced Dipole ◽  
Integrated Intensity ◽  
Type Interaction

The integrated intensity of the pressure-induced fundamental band of gaseous chlorine measured by Winkel, Hunt, and Clouter is about 5 times that calculated assuming that the transition moment arises from the oscillation of quadrupole-induced dipole moments. This provides good evidence that valence-type interaction between gaseous chlorine molecules occurs.

scholarly journals Same fold, different properties: polarizable molecular dynamics simulations of telomeric and TERRA G-quadruplexes

2019 ◽  
Vol 48 (2) ◽  
pp. 561-575 ◽  
Author(s):  
Justin A Lemkul
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Dipole Moments ◽  
Sequence Motifs ◽  
Telomeric Dna ◽  
Rna Sequences ◽  
Dna And Rna ◽  
Induced Dipole ◽  
Dynamics Simulations

Abstract DNA and RNA sequences rich in guanine can fold into noncanonical structures called G-quadruplexes (GQs), which exhibit a common stem structure of Hoogsteen hydrogen-bonded guanine tetrads and diverse loop structures. GQ sequence motifs are overrepresented in promoters, origins of replication, telomeres, and untranslated regions in mRNA, suggesting roles in modulating gene expression and preserving genomic integrity. Given these roles and unique aspects of different structures, GQs are attractive targets for drug design, but greater insight into GQ folding pathways and the interactions stabilizing them is required. Here, we performed molecular dynamics simulations to study two bimolecular GQs, a telomeric DNA GQ and the analogous telomeric repeat-containing RNA (TERRA) GQ. We applied the Drude polarizable force field, which we show outperforms the additive CHARMM36 force field in both ion retention and maintenance of the GQ folds. The polarizable simulations reveal that the GQs bind bulk K+ ions differently, and that the TERRA GQ accumulates more K+ ions, suggesting different ion interactions stabilize these structures. Nucleobase dipole moments vary as a function of position and also contribute to ion binding. Finally, we show that the TERRA GQ is more sensitive than the telomeric DNA GQ to water-mediated modulation of ion-induced dipole-dipole interactions.

Electroactive perovskite lead zirconate particles embedded in an acrylic elastomer

e-Polymers ◽  
2012 ◽  
Vol 12 (1) ◽  
Author(s):  
Nuchnapa Tangboriboon ◽  
Anuvat Sirivat ◽  
Ruksapong Kunanuruksapong ◽  
Sujitra Wongkasemjit
Keyword(s):  
Electric Field ◽  
Storage Modulus ◽  
Volume Fraction ◽  
Dipole Moments ◽  
Sol Gel ◽  
Lead Zirconate ◽  
Additional Stress ◽  
Interparticle Interactions ◽  
Induced Dipole ◽  
Small Volume Fraction

AbstractLead zirconate was synthesized via the sol-gel process and calcined at 300°C for 1 h to obtain a Perovskite structure of an orthorhombic form. SEM micrographs indicate that the lead zirconate particles are moderately dispersed in a solid acrylic rubber, AR71. Without an electric field, the particles merely act as a dielectric filler that can absorb and store additional stress. Under electrical field, particle-induced dipole moments are generated, leading to the interparticle interactions, thus creating a substantial increase in the storage modulus. At the small volume fraction of lead zirconate particles of 0.02 embedded in the elastomer matrix, the electrical conductivity increases dramatically by two orders of magnitude. At the volume fraction of merely 0.0002, the storage modulus, or the composite rigidity, increases by a factor of two as the electric field strength is varied from 0 to 2 kV/mm.

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