Tautomerism, protonation regioselectivity of 2-pyrrolidone and its complexation with palladium(II): an insight from the viewpoint of quantum chemistry

Pankratov, A. N.; Бородулин, В. Б.; Chaplygina, O. A.

doi:10.1080/00958970410001704609

Cited by 8 publications

(4 citation statements)

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“…They are primarily classified into three categories in regard to their charges (10 cationic, 6 anionic, and 8 neutral polymers) and further subdivided based on molecular weights, hydrophilic/hydrophobic properties, polarities, and arrangement of blocks in case of di- and triblock copolymers. We also employed polyvinylpyrrolidones (PVPs) with 4 different molecular weights, which are popularly known as powerful structure-directing reagents for the shape control of silver nanomaterials. ,, Particularly, we classified them as positively charged polymers ( G , H , I , and J in Figure , green box with deep green background) in spite of their actual net neutral charge. , This classification is because of their partial positive charges with quasi-cationic properties associated with the unshared electron pair of nitrogen and much stronger attractive interactions with anionic molecules than positive or neutral ones. − The library also comprises polymers having branched or chain structures, aromatic or aliphatic (cyclic/linear) monomers, strong or weak ionic strength, and synthetic or natural sources. It also contains biological polymers such as polysaccharides and polypeptides.…”

Section: Resultsmentioning

confidence: 99%

Combinatorial Polymer Library Approach for the Synthesis of Silver Nanoplates

Kim

Han

et al. 2012

Chem. Mater.

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We employ a combinatorial library approach to control the shape of the silver nanostructures by regulating the structure of their seeds. Twenty-four polymers are investigated in detail with respect to their functionalities, chemical structures, molecular weights, and charges, each of which turns out to play significant roles in synthesizing high-quality silver nanoplates at room temperature in a fast manner. A mechanism depicting the exceptionally stable seed structures ‘stitched’ by polymer threads is proposed, which clearly explains the experimental observations.

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Section: Resultsmentioning

confidence: 99%

Combinatorial Polymer Library Approach for the Synthesis of Silver Nanoplates

Kim

Han

et al. 2012

Chem. Mater.

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“…For amide complexes of metal ions, see: Anget et al (1990); Curtis et al (1983). Pankratov et al (2004); Wayland & Schramm (1969); Rheingold & Staley (1988). For the structures of ambidentate ligand complexes of Pd II , see: Johnson et al (1981);Johansson et al (2001); Langs et al (1967).…”

Section: Related Literaturementioning

confidence: 99%

“…Hence, amide compounds should coordinate to Pd II through a nitrogen atom more preferably. In fact, it has been known that the Pd II complex with 2-pyrrolidone is N-bonded form, i.e., cis-PdCl 2 (pyrroline-2-ol) 2 (Pankratov et al, 2004). However, Pd II complexes with O-bonded amides have been also reported, N-dimethylacetamide, N-methyl-acetamide, and N-methylformamide) (Wayland et al, 1969), and Pd(DMF) 2 (o-(N-methylliminomethyl)phenyl).BF 4 (Rheingold et al, 1988).…”

Section: Data Collectionmentioning

confidence: 99%

trans-Bis(1-cyclohexylpyrrolidin-2-one)dinitratopalladium(II)

Takahashi

Ikeda

2009

Acta Cryst E

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“…Therefore, they can hardly be described at a high level of theory using ab initio or DFT methods. On the other hand, we have found that the MNDO, AM1, and PM3 methods correctly reproduce the most important thermodynamic and molecular characteristics ( [16,[30][31][32][33][34][35][36][37][38][39][40][41][42][43][44][45], etc.) and the electronegativity, inductive, and mesomeric parameters of atomic groups [16,46,47] in…”

Section: Resultsmentioning

confidence: 98%

Analytical Azo Coupling Reactions: A Quantum-Chemical Consideration

Pankratov

2005

J Anal Chem

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The nitrite ion is a priority environmental toxicant and a precursor of N-nitrosamines, which are carcinogenic and mutagenic agents [1,2]. It interacts with oxyhemoglobin in blood to form methemoglobin, which disturbs cell respiration, and, therefore, the vital functions of the entire organism [3,4]. Nitrites are added to meat foods to improve vendibility. The analytical determination of nitrites and N-nitrosamines in foodstuff and other samples is a topical problem. The simplicity, availability, and satisfactory metrological characteristics of photometry make it one of the most suitable methods for solving this problem [5,6]. The most important photometric reactions for nitrites and N -nitrosamines are the diazotization of primary aromatic amines and the subsequent azo coupling reaction [5,6].In photometric analysis, the following processes in which or N -nitrosamines participate are used: (1) the self-coupling of 1-aminonaphthalene ( I ) through the diazotization of I followed by the coupling of the resulting naphthalene-1-diazonium cation ( II ) with I [5-8] and (2) the analytical Griess reaction involving the diazotization of 4-aminobenzenesulfonic (sulfanilic) acid followed by the azo coupling of the resulting 4-sulfobenzenediazonium with amine I [5,6,9].In an aqueous solution, the former of the processes mentioned above occurs to only a small extent and the product precipitates [7,8]. However, the yield of the analytical form and the stability of the analytical signal over time improve dramatically if the reaction is performed in microreactors [10], such as anionic surfactant (sodium dodecyl sulfate) micelles [7,8]. On the contrary, the Griess reaction is successfully performed in an aqueous medium [5,6], whereas anionic surfactant micelles only slightly enhance the analytical signal NO 2 -(increase the absorbance of the solution of the analytical form) and stabilize it over time [9].Note that the stability of an analytical signal and the thermodynamic stability of molecular systems discussed below are different concepts. The former is characterized by the time in which the maximum intensity of the analytical signal remains virtually constant, whereas the latter is characterized by the enthalpy and the free energy of formation of a certain molecule.In the diazotization-azo coupling tandem, the azo coupling reaction is crucial, because its products are the sources of the analytical signal in the photometric determination of nitrite and N -nitrosamines.According to [11], the self-coupling product of 1-aminonaphthalene I is 4-amino-1,1'-azonaphthalene resulting from the interaction of naphthalene-1-diazonium cation II with I at the 4-position of the amine molecule. At the same time, the possibility is discussed [11] for the formation of 1,1'-diazoaminonaphthalene (triazene) upon the electrophilic attack of the nitrogen atom in molecule I by cation II . The author of [11] reports nothing concerning the detection of 1-amino-2,1'-azonaphthalene (the result of coupling at position 2 of molecule I ).At the same tim...

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Tautomerism, protonation regioselectivity of 2-pyrrolidone and its complexation with palladium(II): an insight from the viewpoint of quantum chemistry

Cited by 8 publications

References 9 publications

Combinatorial Polymer Library Approach for the Synthesis of Silver Nanoplates

Combinatorial Polymer Library Approach for the Synthesis of Silver Nanoplates

trans-Bis(1-cyclohexylpyrrolidin-2-one)dinitratopalladium(II)

Analytical Azo Coupling Reactions: A Quantum-Chemical Consideration

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