Sökning: WFRF:(Sarma Bipul) >
Structural insights...
Structural insights into the polymorphism of bismuth(III) di-n-butyldithiocarbamate by X-ray diffraction, solid-state (13C/15N) CP-MAS NMR and DFT calculations
-
- Gowda, Vasantha (författare)
- Luleå tekniska universitet,Kemiteknik,NMR Research Unit, University of Oulu
-
- Sarma, Bipul (författare)
- Department of Chemical Sciences, Tezpur University
-
- Laitinen, Risto S. (författare)
- Laboratory of Inorganic Chemistry, University of Oulu
-
visa fler...
-
- Larsson, Anna-Carin (författare)
- Luleå tekniska universitet,Kemiteknik
-
- Ivanov, Alexander V. (författare)
- Institute of Geology and Nature Management, Far Eastern Branch of the Russian Academy of Sciences
-
- Iuga, Dinu (författare)
- Department of Physics, Warwick University
-
- Lantto, Perttu (författare)
- NMR Research Unit, University of Oulu
-
- Antzutkin, Oleg (författare)
- Luleå tekniska universitet,Kemiteknik,Department of Physics, Warwick University
-
visa färre...
-
(creator_code:org_t)
- Elsevier, 2017
- 2017
- Engelska.
-
Ingår i: Polyhedron. - : Elsevier. - 0277-5387 .- 1873-3719. ; 129, s. 123-132
- Relaterad länk:
-
http://jultika.oulu....
-
visa fler...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- Two crystalline polymorphs of a binuclear tris(di-n-butyldithiocarbamato)bismuth(III) complex, I and II, with an empirical formula of [Bi{S2CN(n-C4H9)2}3] were synthesised and characterised by X-ray diffraction (XRD), solid-state NMR and density functional theory (DFT) calculations. At the supramolecular level, these mononuclear molecular units interact in pairs via secondary Bi⋯S bonds, yielding binuclear formations of [Bi2{S2CN(n-C4H9)2}6]. The polymorph I () contains two isomeric non-centrosymmetric binuclear molecules of [Bi2{S2CN(n-C4H9)2}6], which are related to each other as conformers, therefore having four structurally inequivalent bismuth atoms and twelve inequivalent dithiocarbamate ligands. In contrast, the structurally simpler polymorph II (P21/n) exists as a single molecular form of the corresponding centrosymmetric binuclear formation, comprising two structurally equivalent bismuth atoms and three structurally different dithiocarbamate groups. The polymorphs I and II were found to be interconvertible by altering the solvent system during the recrystallisation process. Sun et al. (2012) has reported a crystalline form of the title compound which resembles, but is not identical with, polymorph II. Experimental solid-state 13C and 15N cross-polarisation (CP) magic-angle-spinning (MAS) NMR spectra of both polymorphs I and II were in accord with the direct structural data on these complexes. Assignments of the resonance lines in the solid-state 13C and 15N NMR spectra were assisted by chemical shift calculations of the crystals using periodic DFT.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- Chemistry of Interfaces
- Gränsytors kemi
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas