Výsledky vyhledávání - "I. F. Tupitsyn"

A New Approach to Analysis of the Nonlinearity of the Brönsted Relationship: III An Empirical Procedure Combining the Method of Correlations and the Concept of Hard and Soft Acids and Bases, as Applied to Normal CH Acids

Autor: I. F. Tupitsyn

Publikováno v: Russian Journal of General Chemistry. 74:1020-1030

A comparative σρ analysis was made of the experimental characteristics of the gas-phase (ΔGgas)'liquid-phase (pKa), kinetic (logkD) acidity of normal CH acids of various structures (terminal acetylenes'substituted benzenes, and methane derivatives

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::295923f0cd6bff63561e43e4fdeada31
https://doi.org/10.1023/b:rugc.0000045858.25830.98

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New Approach to Analysis of the Nonlinearity of the Brønsted Relationship: II. An Empirical Procedure Combining the σ Correlation Method with the Concept of Hard and Soft Acids and Bases, as Applied to Pseudo CH Acids

Autor: I. F. Tupitsyn

Publikováno v: Russian Journal of General Chemistry. 74:179-188

A comparative systematic σρ analysis of the features of Bronsted behavior of pseudo CH acids(according to Eigen's classification) is made. The analysis is based on combined use of experimental data onpKa, ΔGgas, logkD of CH acids (ΔGgas is the fr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f92a10fc97c2a6363f2ed3b36f197cee
https://doi.org/10.1023/b:rugc.0000025497.22963.5d

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A New Approach to Analysis of the Nonlinearity of the Br∅nsted Relationship: I. Role of Solvation Factors in Variations of the Kinetic and Thermodynamic Acidity of CH Acids

Autor: I. F. Tupitsyn

Publikováno v: Russian Journal of General Chemistry. 74:21-31

A procedure for eliminating the electrostatic component from pK a of CH acids in DMSO wassuggested, substantiated in detail, used to construct the most suitable pK a scale from the viewpoint of thechoice of standard, solvent-independent states of spe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2b23506e5382f9008b53f523d3bf1df0
https://doi.org/10.1023/b:rugc.0000025167.43168.1d

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[Untitled]

Autor: I. F. Tupitsyn, N. N. Zatsepina

Publikováno v: Russian Journal of General Chemistry. 73:358-370

Specific features of the stepwise hydrogen exchange mechanism and transition state structure in the systems acetophenone-liquid ammonia in the absence of foreign compounds and in the presence of bases and toluene-liquid ammonia in the presence of pot

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6d0f24e39eaf548c5d097d9f7fbee1c5
https://doi.org/10.1023/a:1024997601298

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[Untitled]

Autor: N. N. Zatsepina, I. F. Tupitsyn

Publikováno v: Russian Journal of General Chemistry. 72:405-417

A concept is suggested for explaining deviations of certain CH acids from the linear Bronsted relationship. The major attention is given to ion-dipole interaction between the molecules of a polar aprotic solvent and dissolved carbanions. The concept

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::19b1233868879ff85293a92b054bd4fe
https://doi.org/10.1023/a:1015499718878

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[Untitled]

Autor: I. F. Tupitsyn, N. N. Zatsepina

Publikováno v: Russian Journal of General Chemistry. 71:1133-1143

The kinetic isotope effects in deuterium and tritium exchange in benzene, fluorobenzene, pyridine, pyridine N-oxide, and quinoline with a solution of an alkali metal amide in liquid ammonia kDNH3/kTNH3 were determined, where kDNH3 and kTNH3 are the e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::09807a8e4497a69898b2c8342d4c1ac1
https://doi.org/10.1023/a:1013134511332

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[Untitled]

Autor: A. S. Popov, I. F. Tupitsyn

Publikováno v: Russian Journal of General Chemistry. 71:89-101

It is shown that the CH acidity of di- and trisubstituted methanes can be studied using the ap- proaches consisting in singling out the contributions of physically significant factors from the overall acidification mechanisms in the gas phase and in

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f976dcce446d4313a6ffcb3fae17cd44
https://doi.org/10.1023/a:1012341708989

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Comparative quantum-chemical investigation of the CH acidity of some N-methyl-amino derivatives in the gas phase and in solution

Autor: Yu. V. Puzanov, I. F. Tupitsyn, S. A. Egorov, A. Yu. Shibaev

Publikováno v: Theoretical and Experimental Chemistry. 27:367-376

The equilibrium configuration of the molecules of three derivatives of N-methylnitrosoamine, N,N-dimethylnitramine, and 1-phenyl-1-triazene and their carbanions were calculated by various semiempircal SCF methods and also in the nonempirical 3–21G+

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0b86f9e304d0dc3ebbf72b8830cd4cc2
https://doi.org/10.1007/bf01372508

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Quantum-chemical calculation of the factors determining interaction forces in monosubstituted methanes

Autor: I. F. Tupitsyn, A. Yu. Shibaev, Yu. V. Puzanov

Publikováno v: Theoretical and Experimental Chemistry. 25:378-383

On the basis of non-empirical calculations in the basis 3-21GF and semiempirical calculations by the MINDO/3 method we have considered the factors responsible for changes in the force constant of the CH bond (KCH) in molecules of the type CH3X (X = N

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::257ccba09b556e6afa4549fcb001bdd2
https://doi.org/10.1007/bf00530428

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