The crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex

Kabešová, M.; Dunaj‐Jurčo, M.; Serátor, M.; Gažo, J.; Garaj, J.

doi:10.1016/s0020-1693(00)81976-3

Cited by 74 publications

(55 citation statements)

References 7 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Interestingly, in heteroleptic complex units Cu II and thiocyanates can adopt also further coordination possibilities, tetrahedral (N ∧ N)CuNS in [Cu(4‐bpy)(SCN)(NCS)] n (bpy = 4,4’‐bipyridine) vs. square planar (N ∧ N)CuNN coordination in [Cu(2‐bpy)(NCS) 2 ] (2‐bpy = 2,2’‐bipyridine) or Jahn‐Teller distorted octahedral CuS 2 N 2 (N 2 ) in [Cu(NCS)(SCN)(pyrimidine) 2 ] n . However, all of them underline the marked preference of Cu II for N coordination over S coordination, which is largely reversed for Cu I , which preferably coordinates to S ligands, as, for example, in the tetrahedrally configured [Cu I (SCN) 4 ] 3− unit in the mixed valent compound {[Cu II (bpzm)(NCS)][Cu II (bpzm)(MeOH)][Cu I (SCN) 4 ]} n (bpzm =bis(pyrazol‐1‐yl)methane) . Despite to this clear preference of Cu II to N coordination over S coordination, we checked every combination for the [Cu(NCS) 4 ] 2− dianion in (CocH) 2 [Cu(NCS) 4 ] (Figure ) and obtained by far the best results for the structure refinement with a CuN 4 coordination.…”

Section: Resultsmentioning

confidence: 99%

Copper thiocyanato complexes and cocaine – a case of ‘black cocaine’

Laussmann¹,

Grzesiak

Krest

et al. 2014

Drug Testing and Analysis

View full text Add to dashboard Cite

The chemical composition of a black powder confiscated by German customs was elucidated. Black powders are occasionally used as a 'transporter' for cocaine and are obviously especially designed to cloak the presence of the drug. The material consisting of cocaine, copper, iron, thiocyanate, and graphite was approached by analytical tools and chemical modelling. Graphite is added to the material probably with the intention of masking the typical infrared (IR) fingerprints of cocaine and can be clearly detected by powder X-ray diffraction (XRD) and Raman spectroscopy. Cu(2+) and NCS(-) ions, when carefully reacted with cocaine hydrochloride, form the novel compound (CocH)2 [Cu(NCS)4 ] (CocH(+) = protonated cocaine), which has been characterised by single crystal XRD, IR, NMR, UV/Vis absorption and EPR spectroscopy. Based on some further experiments the assumed composition of the original black powder is discussed.

show abstract

Section: Resultsmentioning

confidence: 99%

Copper thiocyanato complexes and cocaine – a case of ‘black cocaine’

Laussmann¹,

Grzesiak

Krest

et al. 2014

Drug Testing and Analysis

View full text Add to dashboard Cite

show abstract

“…In contrast a unique all-trans pattern with pseudo-chair shaped rings is adopted in 5, which leads to a much flatter structure in which all Cu atoms are positioned on one side of the lamellar network. Whereas, in the a-and b-modifications of CuSCN itself [21,22] both Cu and S exhibit tetrahedral coordination spheres that participate in 3 D frameworks, the fourth coordina- (10) 1.655 (7), N(10)±Cu (1)±N (12) 120.6(3), C(10)±S (10)±Cu(1) 101.2(3). (10)±Cu (1)' 106.6 (1) sible for 4 Mepym ligands, which, presumably owing to the steric demands of their 4-methyl substituents, remain monodentate in the lamellar polymer (5).…”

Section: Resultsmentioning

confidence: 99%

Assembly of Chiral Two- and Three-dimensional Copper(I) Pseudohalide Based Coordination Polymers with Asymmetrically Substituted Pyrazine and Pyrimidine Ligands

Teichert

Sheldrick

1999

Z. anorg. allg. Chem.

View full text Add to dashboard Cite

The coordination polymers ∞2[(CuCN)2(μ‐2 Mepyz)], ∞3[CuCN(μ‐2 Mepyz)] and ∞3[CuCN(μ‐4 Mepym)] (1–3) (2 Mepyz = 2‐methylpyrazine; 4 Mepym = 4‐methylpyrimidine) may be prepared by self‐assembly in acetonitrile solution at 100 °C (1, 3) or without solvent at 20 °C (2). All three contain ∞1[CuCN] chains that are bridged by the bidentate aromatic ligands into sheets in 1 and 3 D frameworks in 2 and 3. Reaction of CuSCN with these heterocyclic diazines at 100 °C leads to formation of the lamellar coordination polymers ∞2[(CuSCN)(μ‐2 Mepyz)] (4) and ∞2[CuSCN · (4 Mepym‐κN1)] (5), which contain respectively ∞1[CuSCN] chains and trans‐trans fused ∞2[CuSCN] sheets as substructures. The presence of an asymmetric substitution pattern in 2 Mepyz and 4 Mepym induces the adoption of a chiral structure by 2 and 5 (space groups P212121 and P1).

show abstract

“…[18] Another form, α-CuSCN (Figure 4a), has also been reported and its structure characterized [16] although it is less observed in experiments. It should also be noted that the β phase also exhibits polytypism, which results from different stacking sequences along the c-axis of the lattice.…”

Section: Polymorphs and Surfaces Of Cuscn Adv Electron Mater 2017mentioning

confidence: 98%

“…[8] Additionally, CuSCN is chemically stable [13][14][15] and can be easily prepared at high purities as well as processed from solution-phase at low temperatures. [16][17][18][19] Moreover, owing to its quasi-molecular nature, CuSCN can be chemically modified; [20] in fact, the properties and applications of CuSCN derivatives are still awaiting exploration and could potentially open up a new range of possibilities.…”

Section: Introductionmentioning

confidence: 99%

Electronic Properties of Copper(I) Thiocyanate (CuSCN)

Pattanasattayavong

Promarak

Anthopoulos

2017

Adv Elect Materials

View full text Add to dashboard Cite

With the emerging applications of copper(I) thiocyanate (CuSCN) as a transparent and solution-processable hole-transporting semiconductor in numerous opto/electronic devices, fundamental studies that cast light on the charge transport physics are essential as they provide insights critical for further materials and devices performance advancement. The aim of this article is to provide a comprehensive and up-to-date report of the electronic properties of CuSCN with key emphasis on the structure-property relationship. The article is divided into four parts. In the first section, we review recent works on density functional theory calculations of the electronic band structure of hexagonal β-CuSCN. Following, various defects that may contribute to the conductivity of CuSCN are discussed, and newly predicted phases characterized by layered 2-dimesnional-like structures are highlighted. Finally, a summary of recent studies on the band-tail states and hole transport mechanisms in solutiondeposited, polycrystalline CuSCN layers is presented.

show abstract

The crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex

Cited by 74 publications

References 7 publications

Copper thiocyanato complexes and cocaine – a case of ‘black cocaine’

Copper thiocyanato complexes and cocaine – a case of ‘black cocaine’

Assembly of Chiral Two- and Three-dimensional Copper(I) Pseudohalide Based Coordination Polymers with Asymmetrically Substituted Pyrazine and Pyrimidine Ligands

Electronic Properties of Copper(I) Thiocyanate (CuSCN)

Contact Info

Product

Resources

About