FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2108672596> ?p ?o ?g. }

• W2108672596 endingPage "254" @default.
• W2108672596 startingPage "233" @default.
• W2108672596 abstract "The Tl5Se5(3-) anion has been obtained by extracting KTlSe in ethylenediamine in the presence of 2,2,2-crypt. The salt, (2,2,2-crypt-K+)3Tl5Se5(3-), crystallizes in the triclinic system, space group P1, with Z = 2 and a = 11.676(2) A, b = 16.017(3) A, c = 25.421(5) A, alpha = 82.42(3) degrees, beta = 88.47(3) degrees, gamma = 69.03(3) degrees at -123 degrees C. Two other mixed oxidation state TlI/TlIII anions; Tl4Se5(4-) and Tl4Se6(4-), have been obtained by extracting KTlSe into liquid NH3 in the presence of 2,2,2-crypt and have been characterized in solution by low-temperature 77Se, 203Tl, and 205Tl NMR spectroscopy and were shown to exist as a 1:1 equilibrium mixture at -40 degrees C. The couplings, 1J(203,205Tl-77Se) and 2J(203,205Tl-203,205Tl), have been observed for Tl4Se5(4-) and Tl4Se6(4-) and have been used to arrive at the solution structures of both anions. Structural assignments were achieved by detailed analyses and simulations of all spin multiplets that comprise the 205,203Tl NMR spectra and that arise from natural abundance 205,203Tl and 77Se or enriched 77Se isotopomer distributions. The structures of all three anions are based on a Tl4Se4 cube in which Tl and Se atoms occupy alternate corners. There are one and two exo-selenium atoms bonded to thallium in Tl4Se5(4-) and Tl4Se6(4-), respectively, so that these thalliums are four-coordinate and possess a formal oxidation state of +3 and the remaining three-coordinate thallium atoms are in the +1 oxidation state. The structure of Tl5Se5(3-) may be formally regarded as an adduct in which Tl+ is coordinated to the unique exo-selenium and to two seleniums in a cube face containing the TlIII atom. The Tl4Se5(4-), Tl4Se6(4-), and Tl5Se5(3-) anions and the presently unknown, but structurally related, Tl4Se4(4-) anion can be described as electron-precise cages. Ab initio methods at the MP2 level of theory show that Tl4Se5(4-), Tl4Se6(4-), and Tl5Se5(3-) exhibit true minima and display geometrical parameters that are in excellent agreement with their experimental cubanoid structures, and that Tl4Se4(4-) is cube-shaped (Td point symmetry). The gas-phase energetics associated with plausible routes to the formation and interconversions of these anions have been determined by ab initio methods and assessed. It is proposed that all three cubanoid anions are derived from the known Tl2Se2(2-), TlSe3(3-), Se2(2-), and polyselenide anions that have been shown to be present in the solutions they are derived from." @default.
• W2108672596 created "2016-06-24" @default.
• W2108672596 creator A5009431558 @default.
• W2108672596 creator A5015489916 @default.
• W2108672596 creator A5022346082 @default.
• W2108672596 creator A5033728877 @default.
• W2108672596 creator A5044788359 @default.
• W2108672596 creator A5073965649 @default.
• W2108672596 date "2000-12-14" @default.
• W2108672596 modified "2023-10-01" @default.
• W2108672596 title "First Examples of Thallium Chalcogenide Cages. Syntheses, ⁷⁷Se, ²⁰³Tl, and ²⁰⁵Tl NMR Study of the Tl₄Se₅⁴^- and Tl₄Se₆⁴^- Anions, the X-ray Crystal Structure of (2,2,2-crypt-K⁺)₃Tl₅Se₅³^-, and Theoretical Studies" @default.
• W2108672596 cites W123872719 @default.
• W2108672596 cites W126727259 @default.
• W2108672596 cites W151074054 @default.
• W2108672596 cites W1681322973 @default.
• W2108672596 cites W1966585613 @default.
• W2108672596 cites W1974667766 @default.
• W2108672596 cites W1984599229 @default.
• W2108672596 cites W1986365004 @default.
• W2108672596 cites W1988376578 @default.
• W2108672596 cites W1993383767 @default.
• W2108672596 cites W1997340274 @default.
• W2108672596 cites W2000872531 @default.
• W2108672596 cites W2002194503 @default.
• W2108672596 cites W2011254772 @default.
• W2108672596 cites W2014141953 @default.
• W2108672596 cites W2022207016 @default.
• W2108672596 cites W2027716126 @default.
• W2108672596 cites W2033365705 @default.
• W2108672596 cites W2037223803 @default.
• W2108672596 cites W2038767330 @default.
• W2108672596 cites W2041872148 @default.
• W2108672596 cites W2044574828 @default.
• W2108672596 cites W2044940178 @default.
• W2108672596 cites W2055219539 @default.
• W2108672596 cites W2060655642 @default.
• W2108672596 cites W2061276665 @default.
• W2108672596 cites W2072435998 @default.
• W2108672596 cites W2081043157 @default.
• W2108672596 cites W2082249979 @default.
• W2108672596 cites W2084798561 @default.
• W2108672596 cites W2085966856 @default.
• W2108672596 cites W2087672213 @default.
• W2108672596 cites W2167590372 @default.
• W2108672596 cites W2315984515 @default.
• W2108672596 cites W2396119049 @default.
• W2108672596 cites W2949409596 @default.
• W2108672596 cites W2949611695 @default.
• W2108672596 cites W2950503695 @default.
• W2108672596 cites W2950577909 @default.
• W2108672596 cites W2950949743 @default.
• W2108672596 cites W2950979742 @default.
• W2108672596 cites W2951993360 @default.
• W2108672596 cites W4245677282 @default.
• W2108672596 cites W4247525573 @default.
• W2108672596 cites W1980802566 @default.
• W2108672596 doi "https://doi.org/10.1021/ic000779d" @default.
• W2108672596 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11170528" @default.
• W2108672596 hasPublicationYear "2000" @default.
• W2108672596 type Work @default.
• W2108672596 sameAs 2108672596 @default.
• W2108672596 citedByCount "14" @default.
• W2108672596 countsByYear W21086725962014 @default.
• W2108672596 countsByYear W21086725962023 @default.
• W2108672596 crossrefType "journal-article" @default.
• W2108672596 hasAuthorship W2108672596A5009431558 @default.
• W2108672596 hasAuthorship W2108672596A5015489916 @default.
• W2108672596 hasAuthorship W2108672596A5022346082 @default.
• W2108672596 hasAuthorship W2108672596A5033728877 @default.
• W2108672596 hasAuthorship W2108672596A5044788359 @default.
• W2108672596 hasAuthorship W2108672596A5073965649 @default.
• W2108672596 hasConcept C115624301 @default.
• W2108672596 hasConcept C121332964 @default.
• W2108672596 hasConcept C1276947 @default.
• W2108672596 hasConcept C178790620 @default.
• W2108672596 hasConcept C179104552 @default.
• W2108672596 hasConcept C185592680 @default.
• W2108672596 hasConcept C2778591166 @default.
• W2108672596 hasConcept C2780728571 @default.
• W2108672596 hasConcept C42228675 @default.
• W2108672596 hasConcept C4839761 @default.
• W2108672596 hasConcept C544153396 @default.
• W2108672596 hasConcept C559099789 @default.
• W2108672596 hasConcept C66974803 @default.
• W2108672596 hasConcept C67787023 @default.
• W2108672596 hasConcept C71240020 @default.
• W2108672596 hasConcept C8010536 @default.
• W2108672596 hasConceptScore W2108672596C115624301 @default.
• W2108672596 hasConceptScore W2108672596C121332964 @default.
• W2108672596 hasConceptScore W2108672596C1276947 @default.
• W2108672596 hasConceptScore W2108672596C178790620 @default.
• W2108672596 hasConceptScore W2108672596C179104552 @default.
• W2108672596 hasConceptScore W2108672596C185592680 @default.
• W2108672596 hasConceptScore W2108672596C2778591166 @default.
• W2108672596 hasConceptScore W2108672596C2780728571 @default.
• W2108672596 hasConceptScore W2108672596C42228675 @default.
• W2108672596 hasConceptScore W2108672596C4839761 @default.
• W2108672596 hasConceptScore W2108672596C544153396 @default.

• next