FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004704676> ?p ?o ?g. }

• W2004704676 endingPage "180" @default.
• W2004704676 startingPage "170" @default.
• W2004704676 abstract "Abstract The reactions of phenylmercury(II) acetate with N-phenyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine (Hppt) (1) and potassium N(4-methylpiperazine)-1-carbodithioate [K(mpcdt)] yielded [PhHg(ppt)] (2) and [PhHg(mpcdt)] (3). The complexes have been characterized by elemental analyses, IR, UV–Vis, 1H and 13C NMR spectroscopy. The ligand Hppt (1)- and complexes 2 and 3 crystallize in the triclinic, monoclinic and orthorhombic system, space group P 1 ¯ , C 2/c and Pbca, respectively. The crystal X-ray studies revealed that complexes 2 and 3 both form a one dimensional metal–organic structure, with a linear N–Hg–Ph and S–Hg–Ph core respectively. The most noteworthy features in complex 2 is that the ligand bound phenylmercury cation is stabilized via intramolecular as well as intermolecular weak Hg⋯N secondary interactions. Crystal structure of complex 2 is also stabilized via weak π⋯π and C–H⋯π interactions. The crystal structure of complex 3 is stabilized by intermolecular/intramolecular Hg⋯S interactions and C–H⋯π interactions. The ligands Hppt and [K(mpcdt)] exhibit green emissions and complex 2 shows photoluminescence due to the presence of Hg⋯N interactions, whilst complex 3 does not show photoluminescence because Hg⋯S interactions show quenching behaviour in the solid state. The solution state photoluminescence properties of complex 2 indicate that intermolecular as well as intramolecular Hg⋯N interactions persist even in very dilute solution. The geometrical optimization of Hppt (1), [K(mpcdt)] and complexes 2 and 3 was calculated in the gas phase using density functional theory (DFT) with the B3LYP hybrid functional, and was used to predict their molecular properties. The electronic excitation energies and intensities of the six lowest-energy spin allowed transitions were calculated using time dependent density functional theory (TD-DFT)." @default.
• W2004704676 created "2016-06-24" @default.
• W2004704676 creator A5002838025 @default.
• W2004704676 creator A5003589984 @default.
• W2004704676 creator A5013508607 @default.
• W2004704676 creator A5029860317 @default.
• W2004704676 creator A5072835914 @default.
• W2004704676 creator A5076711420 @default.
• W2004704676 date "2013-11-01" @default.
• W2004704676 modified "2023-09-25" @default.
• W2004704676 title "Studies on phenylmercury(II) complexes of nitrogen–sulfur ligands: Synthesis, spectral, structural characterization, TD-DFT and photoluminescent properties" @default.
• W2004704676 cites W1809969529 @default.
• W2004704676 cites W1964582925 @default.
• W2004704676 cites W1967133287 @default.
• W2004704676 cites W1967241211 @default.
• W2004704676 cites W1973036992 @default.
• W2004704676 cites W1975021832 @default.
• W2004704676 cites W1979368277 @default.
• W2004704676 cites W1983066436 @default.
• W2004704676 cites W1989166407 @default.
• W2004704676 cites W1990170643 @default.
• W2004704676 cites W2001260283 @default.
• W2004704676 cites W2001641952 @default.
• W2004704676 cites W2002971484 @default.
• W2004704676 cites W2003000612 @default.
• W2004704676 cites W2004842014 @default.
• W2004704676 cites W2005130067 @default.
• W2004704676 cites W2007574340 @default.
• W2004704676 cites W2018280997 @default.
• W2004704676 cites W2020342616 @default.
• W2004704676 cites W2024979176 @default.
• W2004704676 cites W2030576902 @default.
• W2004704676 cites W2031009165 @default.
• W2004704676 cites W2032218498 @default.
• W2004704676 cites W2040330912 @default.
• W2004704676 cites W2041392298 @default.
• W2004704676 cites W2045239086 @default.
• W2004704676 cites W2045735807 @default.
• W2004704676 cites W2049976904 @default.
• W2004704676 cites W2056258548 @default.
• W2004704676 cites W2058756420 @default.
• W2004704676 cites W2058803077 @default.
• W2004704676 cites W2071676108 @default.
• W2004704676 cites W2081197685 @default.
• W2004704676 cites W2086957099 @default.
• W2004704676 cites W2091392391 @default.
• W2004704676 cites W2097079694 @default.
• W2004704676 cites W2101534996 @default.
• W2004704676 cites W2105331636 @default.
• W2004704676 cites W2111346269 @default.
• W2004704676 cites W2131350133 @default.
• W2004704676 cites W2142594455 @default.
• W2004704676 cites W2143981217 @default.
• W2004704676 cites W2150545271 @default.
• W2004704676 cites W2153236968 @default.
• W2004704676 cites W2329321256 @default.
• W2004704676 cites W4289253359 @default.
• W2004704676 doi "https://doi.org/10.1016/j.poly.2013.08.032" @default.
• W2004704676 hasPublicationYear "2013" @default.
• W2004704676 type Work @default.
• W2004704676 sameAs 2004704676 @default.
• W2004704676 citedByCount "24" @default.
• W2004704676 countsByYear W20047046762014 @default.
• W2004704676 countsByYear W20047046762015 @default.
• W2004704676 countsByYear W20047046762016 @default.
• W2004704676 countsByYear W20047046762017 @default.
• W2004704676 countsByYear W20047046762018 @default.
• W2004704676 countsByYear W20047046762019 @default.
• W2004704676 countsByYear W20047046762020 @default.
• W2004704676 countsByYear W20047046762021 @default.
• W2004704676 countsByYear W20047046762022 @default.
• W2004704676 crossrefType "journal-article" @default.
• W2004704676 hasAuthorship W2004704676A5002838025 @default.
• W2004704676 hasAuthorship W2004704676A5003589984 @default.
• W2004704676 hasAuthorship W2004704676A5013508607 @default.
• W2004704676 hasAuthorship W2004704676A5029860317 @default.
• W2004704676 hasAuthorship W2004704676A5072835914 @default.
• W2004704676 hasAuthorship W2004704676A5076711420 @default.
• W2004704676 hasConcept C120665830 @default.
• W2004704676 hasConcept C121332964 @default.
• W2004704676 hasConcept C147597530 @default.
• W2004704676 hasConcept C171250308 @default.
• W2004704676 hasConcept C178790620 @default.
• W2004704676 hasConcept C179104552 @default.
• W2004704676 hasConcept C185592680 @default.
• W2004704676 hasConcept C192562407 @default.
• W2004704676 hasConcept C2780841128 @default.
• W2004704676 hasConcept C2985906921 @default.
• W2004704676 hasConcept C518881349 @default.
• W2004704676 hasConcept C537208039 @default.
• W2004704676 hasConcept C85080765 @default.
• W2004704676 hasConceptScore W2004704676C120665830 @default.
• W2004704676 hasConceptScore W2004704676C121332964 @default.
• W2004704676 hasConceptScore W2004704676C147597530 @default.
• W2004704676 hasConceptScore W2004704676C171250308 @default.
• W2004704676 hasConceptScore W2004704676C178790620 @default.
• W2004704676 hasConceptScore W2004704676C179104552 @default.
• W2004704676 hasConceptScore W2004704676C185592680 @default.

• next