Crystal Structure Refinement of Lead Cyanamide and the Stiffness of the Cyanamide Anion

Liu, Xiaohui; Decker, Andrea; Schmitz, D.; Dronskowski, Richard

doi:10.1002/(sici)1521-3749(200001)626:1<103::aid-zaac103>3.0.co;2-7

Cited by 68 publications

(74 citation statements)

References 9 publications

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“…These values compare very favorably with those in pure cyanamide which arrive at 115 and 132 pm at a temperature of 108 K [9] and at 114 and 130 pm at a temperature of 237 K [10]. Nonetheless, we have recently shown by quantum chemical calculations that the latter angle is quite soft and can be easily distorted without significant energy losses [11]. Within pure cyanamide, the molecule can be safely regarded as being almost linear (N±C±N around 178±179°) [9,10] whereas the present refinement gives an N±C±N angle of 166.2(4)°in both cases.…”

Section: Structure and Packingsupporting

confidence: 67%

Crystal Structure, Magnetic Properties, and Electronic Structure of Ni(NCNH2)4Cl2 and Co(NCNH2)4Cl2

Liu

Kroll

Dronskowski

2001

Z. anorg. allg. Chem.

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The crystal structures of Ni(NCNH 2 ) 4 Cl 2 and Co(NCNH 2 ) 4 Cl 2 , the first complexes with cyanamide as a neutral ligand, have been determined from single crystal data (Im3m, Z = 6, a = 1259.3(2) pm, R 1 = 0.0245 for Ni(NCNH 2 ) 4 Cl 2 and a = 1266.3(2) pm, R 1 = 0.0241 for Co(NCNH 2 ) 4 Cl 2 ; both 329 intensities and 23 parameters). Ni 2+ and Co 2+ are octahedrally coordinated by four equatorial H 2 NCN molecules and two axial chloride ions, and the 20 and 19 electron octahedral complexes are connected by a network of hydrogen bonds. The cyanamide ligands are slightly bent (166°), and the two N±C distances are 112 and 133 pm. Ni(NCNH 2 ) 4 Cl 2 /Co(NCNH 2 ) 4 Cl 2 are Curie paramagnets with two/three unpaired electrons. , den ersten Komplexverbindungen mit Cyanamid als neutralem Liganden, wurden mittels Einkristallstrukturanalysen bestimmt (Im3m, Z = 6, a = 1259.3(2) pm, R 1 = 0.0245 fu È r Ni(NCNH 2 ) 4 Cl 2 und a = 1266.3(2) pm, R 1 = 0.0241 fu È r Co(NCNH 2 ) 4 Cl 2 ; in beiden Fa È llen 329 Intensita È ten und 23 Parameter). Ni 2+ und Co 2+ sind durch vier a È quatoriale H 2 NCN-Moleku È le und zwei axiale Chloridionen oktaedrisch koordiniert, und die oktaedrischen 20-und 19-Elektronenkomplexe werden durch Wasserstoffbru È ckenbindungen vernetzt. Die Cyanamidliganden sind nur schwach gewinkelt (166°), und die beiden N±C-Absta È nde betragen 112 pm und 133 pm. Ni(NCNH 2 ) 4 Cl 2 / Co(NCNH 2 ) 4 Cl 2 sind Curie-Paramagnete mit zwei/drei ungepaarten Elektronen.

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Section: Structure and Packingsupporting

confidence: 67%

Crystal Structure, Magnetic Properties, and Electronic Structure of Ni(NCNH2)4Cl2 and Co(NCNH2)4Cl2

Liu

Kroll

Dronskowski

2001

Z. anorg. allg. Chem.

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“…A good number of inorganic carbodiimides/cyanamides has been synthesized containing alkali [1][2][3][4][5] and alkaline-earth metals, [6][7][8][9] main-group elements, [10][11][12][13][14] d 10 transition metals, [15][16][17][18][19][20][21] and also rare-earth metals. [22][23][24][25] In 2005, the existence of quasibinary compounds containing non-d 10 magnetically active metals was first predicted using densityfunctional theory, indicating that all MNCN ͑M = Mn, Fe, Co, Ni, and Cu͒ phases should be unstable with respect to both formation enthalpy ⌬H f and Gibbs formation energy ⌬G f .…”

Section: Introductionmentioning

confidence: 96%

Determination of the magnetic structure of manganese carbodiimide with diffraction experiments using polarized neutrons

Krott¹,

Houben²,

Müller³

et al. 2009

Phys. Rev. B

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The magnetic structure of MnNCN, the nitrogen equivalent of MnO, and the first carbodiimide of a non-d 10 transition metal ever made, has been determined on the basis of spin-polarized neutron-diffraction data close to absolute zero temperature. The S =5/ 2 moments of the high-spin Mn 2+ ions lie within the ab hexagonal sheets and exhibit an antiferromagnetic ordering between the sheets along the c axis. Below the Néel point ͑28 K͒, a temperature-dependent ordering pattern exists due to magnetic frustration inside the sheets, characterized by a varying angle between the moments. A comparison with other magnetic structures reveals that the compact NCN 2− group is capable of mediating significant spin density needed to ensure relatively strong magnetic communication in view of a large Mn 2+ -Mn 2+ separation.

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“…[21][22][23][24][25][26][27][28][29][30][31][32][33] Especially, in the a multifunctional coupler in assembling transition-metal units and providing unique properties due to its soft, sterically small, and potentially polydentate nature. [21][22][23][24][25][26][27][28][29][30][31][32][33] Especially, in the a multifunctional coupler in assembling transition-metal units and providing unique properties due to its soft, sterically small, and potentially polydentate nature.…”

Section: Introductionmentioning

confidence: 99%

Fabrication of nanocomposites composed of silver cyanamide and titania for improved photocatalytic hydrogen generation

Meng

Zhang

et al. 2015

Dalton Trans.

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Highly efficient composite photocatalysts composed of silver cyanamide (Ag2NCN) and anatase titania (TiO2) were fabricated through a chemical precipitation process of silver nitrate and cyanamide in TiO2 suspensions. The TiO2 nanoparticles around 15 nm were immobilized on the surface of rectangular Ag2NCN particles to form a hetero-structure, and the contents of TiO2 were varied to tune the structure and the photocatalytic performances. In comparison with single TiO2 or Ag2NCN, the TiO2/Ag2NCN nanocomposites exhibited a prominent improved photocatalytic activity in the hydrogen generation, and the hydrogen evolution rate (1494.0 μmol (g h)(-1)) was higher than most of the reported TiO2-composite photocatalysts. Based on the structure investigation, the photocatalytic mechanism of these TiO2/Ag2NCN nanocomposites was proposed. The enhanced photocatalytic activity was attributed to three points: the matched energy level between TiO2 and Ag2NCN promoted the electron-hole transfer and thus inhibited the recombination of photogenerated electrons and holes; the great electron storage capacity of metallic silver produced in the photocatalytic process also facilitated the charge separation; in addition, the expanded absorption spectrum because of the composite structure enhanced the UV and visible light response ability. These TiO2/Ag2NCN nanocomposites also presented good photocatalytic stability in the typical cycle tests. This work provided new insights into fabricating highly efficient composite photocatalysts containing silver and TiO2 for hydrogen generation.

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Crystal Structure Refinement of Lead Cyanamide and the Stiffness of the Cyanamide Anion

Cited by 68 publications

References 9 publications

Crystal Structure, Magnetic Properties, and Electronic Structure of Ni(NCNH2)4Cl2 and Co(NCNH2)4Cl2

Crystal Structure, Magnetic Properties, and Electronic Structure of Ni(NCNH2)4Cl2 and Co(NCNH2)4Cl2

Determination of the magnetic structure of manganese carbodiimide with diffraction experiments using polarized neutrons

Fabrication of nanocomposites composed of silver cyanamide and titania for improved photocatalytic hydrogen generation

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