Please use this identifier to cite or link to this item: http://umt-ir.umt.edu.my:8080/handle/123456789/3014
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNur Shazwani Ahmad Azam-
dc.date.accessioned2014-05-18T06:50:32Z-
dc.date.available2014-05-18T06:50:32Z-
dc.date.issued2013-03-
dc.identifier.urihttp://dspace.psnz.umt.edu.my/xmlui/handle/123456789/3014-
dc.description.abstractThis thesis describes the comparison between the experimental study and abinitio calculation of methylbenzoylthiourea derivatives based on their molecular properties, spectra and complex formation. For the experimental study, thirteen molecules of methylbenzoylthiourea derivatives (L1-L13)were synthesized and successfully characterized using FTIR and NMR spectroscopy, while the crystal structures of these molecules were analyzed using single crystal X-ray diffraction analysis. For the theoretical study,Gaussian 09 software package at the theoretical level of DFT/B3LYP with three different basis set 6-31G(d,p), 6-31+G(d,p) and 6-311G(d,p) were employed to evaluate the optimized molecular geometry, vibrational frequencies and isotropic chemical shift analysis.en_US
dc.language.isoenen_US
dc.publisherTerengganu: Universiti Malaysia Terengganuen_US
dc.subjectQD 480 .N8 2013en_US
dc.subjectNur Shazwani Ahmad Azamen_US
dc.subjectTesis FST 2013en_US
dc.subjectMolecules -- Modelsen_US
dc.titleMolecular properties, spectra and complex formation of methylbenzoylthiourea derivatives through experimentaland ab initio calculation studiesen_US
dc.typeThesisen_US
Appears in Collections:Fakulti Sains dan Teknologi

Files in This Item:
File Description SizeFormat 
QD 480 .N8 2013 Abstract.pdf75.67 kBAdobe PDFThumbnail
View/Open
QD 480 .N8 2013 FullText.pdf
  Restricted Access
9.69 MBAdobe PDFView/Open Request a copy


Items in UMT-IR are protected by copyright, with all rights reserved, unless otherwise indicated.