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Synthesis of New C,C-Linked Bipyrazole and Comparative Theoretical Calculations

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1TitleTitle of DocumentSynthesis of New C,C-Linked Bipyrazole and Comparative Theoretical Calculations
2CreatorAuthor's name, affiliation, country IBRAHIM BOUABDALLAH, ISMAIL ZIDANE, RACHID TOUZANI, FOUAD MALEK, ABDELKRIM RAMDANI,
ABRAHAM F. JALBOUT and B. TRZASKOWSKI
Laboratoire de Chimie Organique, Macromoléculaire et Produit Naturels, Faculté des Sciences, Université Mohammed Ier, BP 524, 60 000 Oujda, Maroc
Centre Régionale des Métiers d’Education et de Formation, Région d’orientale, Maroc
Faculté Pluridisciplinaire, Université Mohammed Ier, B.P. 300, 62700 Selouane, Nador, Maroc
NASA Astrobiology Centers, Department of Chemistry, University of Arizona, Tucson, AZ 85721, USA
3SubjectDicipline(s) Chemical Science
3SubjectKeywords C,C-Linked, Bipyrazole, Theoretical calculation, Mono and bis N-substituted
4DescriptionAbstract New C,C-linked bipyrazole 1,1’-di(4-aminophenyl)-5,5’-diisopropyl-3,3’-bipyrazole (2) has been synthesized and characterized. Theoretical calculations have been carried out on target 2 and literature 1 C,C-linked bipyrazoles to compare with reported results. All calculations were carried out with the AM1 level of theory using the GAUSSIAN 03. The nature of substituent attached to the pyrazolic nitrogen has an effect on the thermodynamic variable values. The mono and bis N-substituted C,C-linked bipyrazoles have different thermodynamic properties.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  3 , Number  (2), (2014)
12LanuguageEnglish=en en
13RelationSupp.files
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