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<p><strong>Remarks on the modelling of molecular binding forces in the Glue-DNT interaction</strong></p>

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Title Statement <p><strong>Remarks on the modelling of molecular binding forces in the Glue-DNT interaction</strong></p>
 
Added Entry - Uncontrolled Name Tseki, Potlaki Foster; Walter Sisulu University
Rwexwana, Andisiwe ; Walter Sisulu University
Mostert, Frikkie J; CSIR DPSS PRETORIA SOUTH AFRICA
CSIR Pretoria
 
Uncontrolled Index Term Spectroscopy;NMR Chemical shifts;Molecular forces
Vibronic polarization, dispersion, dipole, infrared shifts, nmr chemical shifts, glue matrix, 2,4-DNT/TNT.
 
Summary, etc. <p>The interactions between cyanoacrylate type of glue and model compounds for TNT are investigated using mainly spectroscopic techniques. Electrostatic fields emanating from dispersion and dipole interactions are thought to dominate the energy of interaction without any evidence for hydrogen bonding between the glue and any of the substrates. Vibronic spectral data strongly suggests polarization of the vibrational manifolds of the substrates. Careful analysis of nuclear magnetic resonance spectral data reveals a good correlation between the nuclear magnetic resonance (nmr) chemical shifts and the measured infrared shifts in the glue matrix. This profound observation may have implications for theoretical calculations of nmr chemical shifts.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-10-06 11:19:13
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJCA/article/view/24364
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 59, ##issue.no## 7 (2020): INDIAN JOURNAL OF CHEMISTRY- SECTION A
 
Language Note en
 
Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/24364/465481050
 
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