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We have developed deprotonative zincation of 1,3‐dithiole‐2‐thione at the 4‐position. Addition of lithium diisopropylamide to a THF solution of 1,3‐dithiole‐2‐thione containing ZnI2 and LiI generated the corresponding organozinc species. After this zincation, various aryl and acyl groups were...
We have developed a simple K2S2O8‐mediated C‐H bond functionalization of 2‐phenyl pyridines (C‐2 position) with ethers involving C(sp2)‐C(sp3) cross‐dehydrogenative coupling. The reaction does not require metal catalysts nor visible light and operates under mild conditions. Furthermore, the...
We applied density functional calculations to investigate the 7‐5‐5‐7 defects obtained by the addition of an X2 dimer (X = B, Al, Ga, C, Si, Ge, N, P, As, O, S, and Se) to the zigzag (6, 0), (7, 0), and (8, 0) and armchair (4, 4), (5, 5), (6, 6) single‐walled carbon nanotubes (SWCNTs). Two...
Two new cryptands, 2 and 4, were prepared from bis(m‐phenylene)‐32‐crown‐10 (BMP32) 5,5'‐diacid chloride and dibenzo‐30‐crown‐10 (DB30) 4,4'‐diacid chloride, respectively, by reaction with pyridine‐2,6‐dimethanol. The resultant cryptands 2 and 4 have the ester moieties reversed from the...
A series of sterically and electronically modulated phenyl‐bridged α‐diimine ligands L1–L6 of the general formula Ar‐N=C(Me)‐C(Me)=N‐C6H4‐N=C(Me)‐C(Me)=N‐Ar have been synthesized (L1 : Ar = 2,6‐iPr2‐C6H3; L2: Ar = 2,6‐Me2‐C6H3; L3: 4‐Me‐C6H4; L4: Ar = 4‐Et‐C6H4; L5: Ar = 2,4,6‐Cl3‐C6H2; L6: Ar =...
In this study, the different mechanistic ways for the conversion of dithiocarbamate to dialkyl thiourea have been investigated using the high‐accurate DFT calculations. The energy details of all mechanisms were investigated in the gas phase, simple and solvent‐assisted solvation models. Two...
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