- Synthesis, X-ray powder diffraction study, thermal analysis, Hirshfeld surface analysis and optical properties of new crystalline polymer: {(C2H10N2)(MnCl(NCS)2)2}n
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Synthesis, structural and optical properties are given for a new organic manganese pseudo halide material. The crystal structure has been solved by ab initio using direct methods from powder data and has been confirmed by additional single-crystal data collected with a CCD area detector. The structure of the {(C2H10N2)(MnCl(NCS)2)2}n reveals that the adjacent Mn(II) centres are bridged by a pair of SCN? anions to form a 1-D array giving rise to the anionic chains (MnCl(NCS)2)nn?. These chains are themselves interconnected by means of N–H???Cl(S) hydrogen bonds originating from the organic cation [(NH3)2(CH2)2]2+. Optical parameters, such as extinction coefficient, refractive index, permittivity refractive, optical conductivity, electrical conductivity and electrical susceptibility were studied using the absorbance spectra UV-vis spectrophotometer in the spectral range 200-800 nm. Atomic Mulliken charges, energies of frontier molecular orbitals (EHOMO and ELUMO), energy band gap (EHOMO–ELUMO), chemical hardness (η), global electrophilicity index(ω) and Electronegativity (χ) were calculated by Density functional theory (DFT) using B3LYP method. The direct optical band gap energy deduced from the UV–VIS spectroscopy is Eg= 3.61 eV.
- Chouaib, Hassen,Kamoun, Slaheddine,Karoui, Sahel
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- Identifying the roles of amino acids, alcohols and 1,2-diamines as mediators in coupling of haloarenes to arenes
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Coupling of haloarenes to arenes has been facilitated by a diverse range of organic additives in the presence of KOtBu or NaOtBu since the first report in 2008. Very recently, we showed that the reactivity of some of these additives (e.g., compounds 6 and 7) could be explained by the formation of organic electron donors in situ, but the role of other additives was not addressed. The simplest of these, alcohols, including 1,2-diols, 1,2-diamines, and amino acids are the most intriguing, and we now report experiments that support their roles as precursors of organic electron donors, underlining the importance of this mode of initiation in these coupling reactions.
- Zhou, Shengze,Doni, Eswararao,Anderson, Greg M.,Kane, Ryan G.,Macdougall, Scott W.,Ironmonger, Victoria M.,Tuttle, Tell,Murphy, John A.
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supporting information
p. 17818 - 17826
(2015/02/19)
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- Synthesis of poly(galactaramides) from alkylene- and substituted alkylenediammonium galactarates
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Polyhydroxypolyamides (PHPAs) represent a class of synthetic polyamides derived from aldaric acid and diamine monomer units. This paper describes the synthesis of some poly(galactaramides), a class of polyhydroxypolyamides, that employs alkylene and subst
- Kiely, Donald E.,Vishwanathan, Arvind,Jarman, Bevan P.,Manley-Harris, Merilyn
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experimental part
p. 348 - 368
(2010/01/16)
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- Hydrolysis of cyclic ureas under microwave irradiation: Synthesis and characterization of 7,8-diaminopelargonic acid
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A simple and efficient method for the synthesis of 7,8-diaminopelargonic acid, a key intermediate in the biotin biosynthesis pathway, is reported. The d-desthiobiotin powder was dissolved in concentrated hydrochloric acid, and the solution was exposed to microwave radiation of 2.45 GHz for varying lengths of time ranging from 60 s to 2 min. The product thus obtained was characterized by spectroscopic techniques and confirmed through bioassay. Further, the protocol was extended to the synthesis of several diamines from their corresponding cyclic ureas. The results show that the method is generally applicable and not only accelerates the hydrolysis reaction but also offers excellent yields. Copyright Taylor & Francis Group, LLC.
- Vasanthakumar, Ganga Ramu,Bhor, Vikrant M.,Surolia, Avadhesha
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p. 2633 - 2639
(2008/02/12)
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- Thermodynamic of the acid-base properties of ethylenediamine in the binary water - dimethylsulphoxide solvent
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The enthalpies of the acid dissociation reactions of the ethylenediammonium ions in a mixed water - dimethylsulphoxide solvent at 298.15 K have been determined calorimetrically.The thermodynamic characteristics of the reactions have been calculated by using previous results.The effect of the water - dimethylsulphoxide solvent on the enthalpic characteristics of the solvation of the reactants and the contributions of these characteristics of the ΔH0 of the acid dissociation reaction have been analysed.
- Nishchenkov, A. V.,Sharnin, V. A.,Shormanov, V. A.,Krestov, G. A.
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p. 134 - 137
(2007/10/02)
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- Photochemical Generation of μ-Amido-μ-peroxo-bis Complex from the Corresponding μ-Hyperoxo Complex in Neutral Aqueous Solution
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A μ-amido-μ-hyperoxo complex, -)Co(en)2>4+, was found to generate the corresponding μ-peroxo complex, together with mononuclear cobalt(III) complexes upon irradiation with near-ultraviolet light in a neutral aqueous solution.The result is different from that obtained in an acidic aqoueous solution, in which the products are 3+ and Coaq2+.The photochemical reaction mechanisms are discussed.
- Shinohara, Nobuyoshi,Kose, Emiko,Ohkubo, Wataru
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p. 3338 - 3340
(2007/10/02)
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- Electronic effects of the NH2BH3 group. The hydrolysis of diamine bisboranes
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The hydrolysis of m- or p-phenylenediamine bisborane occurs by two consecutive first-order processes in neutral aqueous dioxane and exhibits consecutive pseudo-first-order kinetics in the same solvent containing a relatively high concentration of hydrogen ion. In neutral solution the first step is faster than the second, while the reverse is true in acid solution. These results are interpreted in terms of the substituent effects of the m- and p-NH2BH2, -NH2, and -NH3+ groups on hydrolysis of the second and originally equivalent NH2BH3 function. The acid-catalyzed hydrolysis of ethylenediamine bisborane also occurs in consecutive pseudo-first-order reactions in the region pH 2.4-3.1. Rate constants were evaluated by a graphical method and their relative values are consistent with previously proposed mechanisms for amine borane hydrolysis.
- Kelly, Henry C.
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p. 2173 - 2177
(2008/10/08)
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