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Two-dimensional copper thio- and seleno-cyanates.

Physical Chemistry, Chemical Physics - PCCP, 2016
Based on density-functional theory calculations we identify two-dimensional (2D) forms of copper thio-cyanate (CuSCN) and copper seleno-cyanate (CuSeCN).
L. Tsetseris
semanticscholar   +1 more source

Two-dimensional cyanates: stabilization through hydrogenation.

Physical Chemistry, Chemical Physics - PCCP, 2016
According to first-principles calculations, it should be possible to grow two-dimensional (2D) forms of copper thio-cyanate (CuSCN) and copper seleno-cyanate (CuSeCN) since their energies are only marginally higher than those of their most stable three ...
L. Tsetseris
semanticscholar   +1 more source

Computational study on vapor phase coupling reaction between diiso(thio)cyanates with diamines, diols, and dithiols

, 2017
Coupling between iso(thio)cyanates and amines, alcohols, and thiols to yield (thio)urea/urethane in the gas phase is important for the vacuum deposition processes of functional organic thin films such as molecular layer deposition or chemical vapor ...
Jae Young Lee   +3 more
semanticscholar   +1 more source

Formation of cyanates in low-valent uranium chemistry: a synergistic experimental/theoretical study.

Dalton Transactions, 2014
Computational studies on the reductive activation of a mixture of CO and NO by the U(iii) complex [U(η-C8H6{Si(i)Pr3-1,4}2)(η-Cp*)], which affords a mixture of [U(η-C8H6{Si(i)Pr3-1,4}2)(η-Cp*)]2(μ-OCN)21 and [U(η-C8H6{Si(i)Pr3-1,4}2)(η-Cp*)]2(μ-O) 2 ...
C. E. Kefalidis   +4 more
semanticscholar   +1 more source

[3,3]-Sigmatropic shifts and retro-ene rearrangements in cyanates, isocyanates, thiocyanates, and isothiocyanates of the form RX-YCN and RX-NCY.

Journal of Organic Chemistry, 2012
Retro-ene type [2π + 2π + 2σ] and [3,3]-sigmatropic shift reactions involving the substituent groups R in heteroatom-substituted cyanates and thiocyanates RX-YCN and the isomeric isocyanates and isothiocyanates of the type RX-NCY (X = CR(2), NR', O, or S;
R. Koch   +3 more
semanticscholar   +1 more source

O–CN Bond Cleavage of Cyanates by a Transition-Metal Complex

, 2012
O–CN bond cleavage of cyanates (ROCN) has been achieved at room temperature in the reaction of ROCN with a methyl Fe, Mo, or W complex. A mechanistic investigation involving DFT calculations revealed that silyl migration from Mo to the CN nitrogen gave ...
Kozo Fukumoto   +6 more
semanticscholar   +1 more source

Investigation into the reaction of 2-amino-4,5-dimethylthiophene-3-carboxamide with iso(and isothio)cyanates under microwave irradiation

, 2009
The reaction of 2-amino-4,5-dimethyl- thiophene-3-carboxamide with iso(and isothio) cyanates for the synthesis of thieno[2,3-d]pyrimidines has been investigated.
A. Davoodnia   +3 more
semanticscholar   +1 more source

Effects of Cyanate in Rabbits

1972
Cerami and Manning have proposed that cyanate be used in the treatment of persons with sickle cell disease (1). These investigators have shown that this compound inhibits sickling in vitro (1); that cells treated with cyanate in vitro have a prolonged survival in vivo when reinfused into the donor (2); and that cyanate has no adverse effects upon red ...
P.H. Goldman   +3 more
openaire   +3 more sources

Quantitative Gas–Solid Reactions with ClCN and BrCN: Synthesis of Cyanamides, Cyanates, Thiocyanates, and Their Derivatives

, 1998
An environmentally benign synthetic technique produces solid cyanamides, cyanimides, cyanates, and thiocyanates as well as some heterocyclic compounds in 100% yield [Eq. (1)]. Atomic force microscopy confirmed the three-step mechanism, and revealed a new
G. Kaupp, J. Schmeyers, J. Boy
semanticscholar   +1 more source

The isomerization of ammonium cyanates. I. The kinetics of ammonium cyanate and alkylammonium cyanate isomerization in dimethyl sulphoxide

Australian Journal of Chemistry, 1977
The isomerization of ammonium cyanate in dimethyl sulphoxide leads to urea with a substantial side reaction yielding biuret (c. 25 % at 60 ). Biuret is formed in a process that is competitive with urea formation and not in a subsequent reaction involving urea. The production of urea, as in water, is by the reaction of ammonia and cyanic acid molecules
Hall, Keith J., Watts, Donald W.
openaire   +3 more sources

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