[CoI(CN)2(CO)3]−, a new discovery from an 80-year-old reaction

Lo, Wenfeng; Hu, Chunhua; Lumeij, Marck; Dronskowski, Richard; Lovihayeem, Michael; Ishal, Oren; Jiang, Jianfeng

doi:10.1039/c3cc43269f

Cited by 3 publications

(3 citation statements)

References 45 publications

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“…27 Recently, two kinds of cobalt complexes with mixed cyanide-carbonyl ligands were determined using single crystal X-ray diffraction. 28 By employing pure rotational spectroscopy experiments 22 and ab initio calculations, 23 cobalt cyanide was determined to be a linear CoCN structure.…”

Section: Introductionmentioning

confidence: 99%

Investigation of ternary ConCN−1/0 (n = 1–5) clusters by density functional calculations

Yuan

Wang

et al. 2014

Dalton Trans.

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The neutral and anionic Co(n)CN (n = 1-5) clusters were investigated using density functional calculations. The most stable structures of neutral and anionic Co(n)CN (n = 1-5) clusters have been identified. In these structures, the CN radical retains its integrity as a structural unit. For anionic Co(n)CN(-) (n = 1-5) and neutral Co(n)CN (n = 1-2) clusters, the CN prefers to be adsorbed on the top sites of Co(n) clusters via the C terminal, forming a linear or quasi-linear N-C-Co structure. For neutral Co(n)CN (n = 3-5) clusters, the CN is adsorbed on the bridge sites of Co(n) (n = 3-5) by both C and N atoms. Compared to the free CN radical calculated at the same level, the C-N stretching frequencies of neutral Co(n)CN (n = 3-5) are red-shifted while they are blue-shifted for neutral Co(n)CN (n = 1-2). The adiabatic and vertical detachment energies of anionic Co(n)CN(-) (n = 1-5) clusters are calculated based on density functional calculations. In addition, the most favored dissociation channels of neutral and anionic Co(n)CN (n = 1-5) clusters are determined by calculating the dissociation energies of various possible dissociation pathways.

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Section: Introductionmentioning

confidence: 99%

Investigation of ternary ConCN−1/0 (n = 1–5) clusters by density functional calculations

Yuan

Wang

et al. 2014

Dalton Trans.

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“…We recently reported that the reaction between cobalt(2+) salt and 4 equivalents of cyanide under 1 atmospheric CO in aqueous solution yielded Co I (CN) 2 (CO) 3 À and Co III (CN) 6 3À through disproportionation. 6 We have now expanded our study to nickel systems. Unlike cobalt, the carbonylation of the nickel(2+) salt in neutral aqueous solution with 1 to 3 equivalents of cyanide did not yield any CO-containing product.…”

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confidence: 99%

“…The addition of PPh 4 Cl to the colorless reaction mixture followed by CH 2 Cl 2 extraction led to the isolation of (PPh 4 )[Ni(CN)(CO) 3 ] as a white solid in good yield. 6 ‡ From the amount of NiCl 2 , NaCN, CO used and the amount of Ni 0 (CN)(CO) 3 À , BaCO 3 generated, the carbonylation of nickel(2+) with 1 equivalent of cyanide in alkaline solution can be expressed in reaction (1):…”

mentioning

confidence: 99%