2013
DOI: 10.1002/ange.201302742
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Erklärung des niedrigen Schmelzpunkts von Quecksilber mit relativistischen Effekten

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Cited by 12 publications
(6 citation statements)
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“…[12] To af ar lesser extent, the lanthanide contraction originating from the poor shielding of the nuclear charge by the filled 4f shell contributes to these effects. [13] Altogether,the impact of relativistic effects gives rise to am anifold of peculiar properties of Hg, most prominent perhaps the low MP of 234.3 K, [14,15] but also its unusually high superconductingtransition temperature (T c = 4.15 K) compared to Zn (T c = 0.86 K) or Cd (T c = 0.52 K), [16,17] the appearance of an unusual oxidation state + 4, [18] and the chain-like cinnabar crystal structure adopted by HgS. [19] Furthermore,ashift of the appearance of ametallic state in clusters of increasing size has also been traced back to the impact of relativity.…”
Section: Introductionmentioning
confidence: 99%
“…[12] To af ar lesser extent, the lanthanide contraction originating from the poor shielding of the nuclear charge by the filled 4f shell contributes to these effects. [13] Altogether,the impact of relativistic effects gives rise to am anifold of peculiar properties of Hg, most prominent perhaps the low MP of 234.3 K, [14,15] but also its unusually high superconductingtransition temperature (T c = 4.15 K) compared to Zn (T c = 0.86 K) or Cd (T c = 0.52 K), [16,17] the appearance of an unusual oxidation state + 4, [18] and the chain-like cinnabar crystal structure adopted by HgS. [19] Furthermore,ashift of the appearance of ametallic state in clusters of increasing size has also been traced back to the impact of relativity.…”
Section: Introductionmentioning
confidence: 99%
“…The lighter noble gases, neon and helium, are difficult to near impossible to be described by classical dynamics; the better part of the remaining Periodic Table is made from electron‐deficient elements, forming strongly interacting semiconducting or metallic bulk phases with rich phase diagrams. Although some progress has been made, for the noble gases23a, 28 as well as for mercury,29 the real challenges for computational chemistry still lie ahead.…”
mentioning
confidence: 99%
“…Während die große relativistische ¾nderung des MP von Hg in guter Übereinstimmung mit der LDA-basierten Schätzung von Steenbergen steht, ist sie mehr als doppelt so hoch wie der mit PBEsol berechnete Wert von À160 K. [8,49] Eine genauere Untersuchung dieser Diskrepanz ergab,d ass dies wahrscheinlich methodische Ursachen hat. Eine detaillierte Analyse dieses Aspekts,d ie auf eine unzureichende Konvergenz des k-Punkt-Gitters hindeutet, findet sich in der SI.…”
Section: Forschungsartikelunclassified
“…[13] Insgesamt führt der Einfluss der relativistischen Effekte bei Hg zu einer Vielzahl an besonderen Eigenschaften. Die bekannteste ist vermutlich der niedrige MP von 234.3 K, [14,15] aber auch seine im Vergleich zu Zn (T c = 0.86 K) und Cd (T c = 0.52 K) ungewçhnlich hohe Sprungtemperatur als Supraleiter (T c = 4.15 K), [16,17] das Auftreten der ungewçhnlichen Oxidationsstufe von + 4 [18] und die von HgS angenommene kettenartige Zinnober-Kristallstruktur zählen dazu. [19] Außerdem wurde eine Verschiebung des Auftretens eines metallischen Zustands in Clustern zunehmender Grçße auf den Einfluss der Relativitätz urückgeführt.…”
Section: Introductionunclassified