MIPs logo MIPdatabase      MIP2020 Conference logo Use this space
Custom Search
Reference type: Journal
Authors: Saloni J, Dasary SSR, Anjaneyulu Y, Yu HT, Hill G
Article Title: Molecularly imprinted polymers for detection of explosives: computational study on molecular interactions of 2,6-dinitrotoluene and methacrylic acid complex.
Publication date: 2010
Journal: Structural Chemistry
Volume: 21
Issue: (6)
Page numbers: 1171-1184.
DOI: 10.1007/s11224-010-9657-z

Abstract: Molecularly imprinted polymers can be used for molecular recognition and design of detection devices. During molecular imprinting, a monomer, such as methacrylic acid, is used to encapsulate a template like an explosive. Selective lock-key system build through specific intermolecular interactions is formed. The 2,6-dinitrotoluene has been chosen for this study as an example of highly energetic material whose detection is in demand. This study presents density functional theory and MP2 calculations on structural and vibrational properties of dinitrotoluene-methacrylic acid complex as well as description of the nature of interactions within this complex. Additionally, theoretical and experimental IR spectra along with vibrational assignments are reported
Template and target information: 2,6-dinitrotoluene
Author keywords: Molecularly imprinted polymers, 2,6-Dinitrotoluene, methacrylic acid, intermolecular interactions, IR spectra


  Mister Benzene shirt  Chemistry peptide mug  Beach bunny periodic table shirt

Molecules Special Issue call      Appeal for information






 

Join the Society for Molecular Imprinting
Logo of the Society for Molecular Imprinting

New items RSS feed
new items RSS feed  View latest updates

Sign-up for e-mail updates:
Choose between receiving an occasional newsletter or more frequent e-mail alerts.
Click here to go to the sign-up page.


Is your name elemental or peptidic? Enter your name and find out by clicking either of the buttons below!
Other products you may like:
view listings for MIP books on eBay:



Mickey Mouse 90th Anniversary banner