(Te2)2(I2)—An Unusual Intercalation Compound

Kniep, Rüdiger; Beister, H. J.

doi:10.1002/anie.198503931

“…Iodine atoms form nearly rectangular, planar layers within the ab-plane with I-I distances of 3.14 Å and 3.47 Å. A similar arrangement of iodine layers with values of 3.32 and 3.84 Å was reported in the unusual intercalation compound (Te2)2(I2) [17] . Another, more closely related, TMDC intercalation compound containing a planar iodine network is AuTe2I [18] , which has I-I distances of 4.06(1) and 4.74(1) Å.…”

Section: Resultssupporting

confidence: 64%

Reversible Iodine Intercalation into Tungsten Ditelluride

Schmidt

¹

,

Schneiderhan²,

Ströbele³

et al. 2020

Preprint

0

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The new compound WTe2I was prepared by a reaction of WTe2 with iodine in a fused silica vessel at temperatures between 40 and 200 °C. Iodine atoms are intercalated into the van der Waals gap between tungsten ditelluride layers. As a result, the WTe2 layer separation and therefore the c-axis length is significantly increased, and the orthorhombic space group is preserved. Iodine atoms form planar layers between each tungsten ditelluride layer. Due to oxidation by iodine the semi-metallic nature of WTe2 is changed, as shown by comparative band structure calculations for WTe2 and WTe2I based on density functional theory. The calculated phonon band structure of WTe2I suggests a charge density wave instability at low temperature.

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“…WTe2 [16] WTe2I Space group Pmn21 Pmn21 a / Å 3.477( 2 Iodine atoms form nearly rectangular, planar layers within the ab-plane with I-I distances of 3.14 Å and 3.47 Å. A similar arrangement of iodine layers with values of 3.32 and 3.84 Å was reported in the unusual intercalation compound (Te2)2(I2) [17] . Another, more closely related, TMDC intercalation compound containing a planar iodine network is AuTe2I [18] , which has I-I distances of 4.06(1) and 4.74(1) Å.…”

Section: Resultsmentioning

confidence: 60%

Reversible Iodine Intercalation into Tungsten Ditelluride

Schmidt

¹

,

Schneiderhan

²

,

Ströbele

³

et al. 2021

View full text Add to dashboard Cite

The new compound WTe2I was prepared by a reaction of WTe2 with iodine in a fused silica vessel at temperatures between 40 and 200 °C. Iodine atoms are intercalated into the van der Waals gap between tungsten ditelluride layers. As a result, the WTe2 layer separation and therefore the c-axis length is significantly increased, and the orthorhombic space group is preserved. Iodine atoms form planar layers between each tungsten ditelluride layer. Due to oxidation by iodine the semi-metallic nature of WTe2 is changed, as shown by comparative band structure calculations for WTe2 and WTe2I based on density functional theory. The calculated phonon band structure of WTe2I suggests a charge density wave instability at low temperature. File list (2)download file view on ChemRxiv WTe2I-CPR-V2.pdf (2.31 MiB) download file view on ChemRxiv WTe2I-SI.pdf (832.36 KiB)

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“…As a consequence, the range of interatomic distances that can be associated with (weak) Q Q bonding is wide and also hard to define. This interchange between localised and distributed bonding can be extended: The tellurium subiodide ␣-Te 2 I = (Te 2 ) 2 (I 2 ) is an extraordinary stand-alone compound and rather a composite of the two elements [94]. It contains a layered tellurium modification that is unknown as an independent phase, which is intercalated by layers of iodine molecules (Fig.…”

Section: Selenium and Telluriummentioning

confidence: 98%

“…8). The Te 10 unit consists of two ecliptically stacked Te 4 rings that are linked through two additional tellurium atoms by symmetric or asymmetric linear [94] 3c4e bonds. According to quantum-chemical calculations the tricycle is not stable as an isolated entity, but dissociates at its weak three-centre bonds [119].…”

Section: Uncharged Ligandsmentioning

confidence: 99%