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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/4112
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dc.contributor.authorSingh U.P.-
dc.contributor.authorKashyap S.-
dc.contributor.authorSingh H.J.-
dc.contributor.authorButcher R.J.-
dc.date.accessioned2020-10-06T14:31:38Z-
dc.date.available2020-10-06T14:31:38Z-
dc.date.issued2011-
dc.identifier.citationCrystEngComm (2011), 13(12): 4110-4120-
dc.identifier.issn14668033-
dc.identifier.urihttps://doi.org/10.1039/c0ce00820f-
dc.identifier.urihttp://repository.iitr.ac.in/handle/123456789/4112-
dc.description.abstractThe reaction of 3,5-diphenylpyrazole (PzPh2H) with different inorganic acids affords salts viz., PzPh2H2 +·H2PO4- (1), Pz Ph2H2+·NO3 -·H2O (2), PzPh2H2 +·Cl- (3), 8PzPh2H2 +·4HSO4-·2SO4 -2·3H2O (4) and PzPh2H2 +·ClO4-·H2O· CH3OH (5) with different structures. The present study demonstrates that the formation of hydrogen bond between protonated pyrazoles and anions provides a sufficient driving force for the directed assembly of an extensive supramolecular frame work. Theoretical studies reveal that with the increase in the strength of the inorganic acid, the hydrogen bond interaction energy increases. Using Gaussview to analyse the optimized geometries obtained at DFT(B3LYP)/6-31G(d,p) level of theory further revealed that the orientation of molecules remained the same both in the solid and gaseous phases. © 2011 The Royal Society of Chemistry.-
dc.language.isoen_US-
dc.relation.ispartofCrystEngComm-
dc.titleAnion directed supramolecular architecture of pyrazole based ionic salts-
dc.typeArticle-
dc.scopusid57203181883-
dc.scopusid26537562100-
dc.scopusid15133015200-
dc.scopusid7201947292-
dc.affiliationSingh, U.P., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India-
dc.affiliationKashyap, S., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India-
dc.affiliationSingh, H.J., Department of Chemistry, DDU Gorakhpur University, Gorakhpur 273001, India-
dc.affiliationButcher, R.J., Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, United States-
dc.description.correspondingauthorSingh, U. P.; Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India; email: udaipfcy@iitr.ernet.in-
Appears in Collections:Journal Publications [CY]

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