Cyanide complex of 1,3,5-trinitrobenzene in nonaqueous solvents

1967 ◽  
Vol 45 (22) ◽  
pp. 2703-2709 ◽  
Author(s):  
A. R. Norris
Keyword(s):  
Charge Transfer Complex ◽  
Equilibrium Constants ◽  
Order Rate Constant ◽  
Nonaqueous Solvents ◽  
Cyanide Ion ◽  
Absorption Data ◽  
Extinction Coefficients ◽  
Type Complex ◽  
A Charge ◽  
Molar Extinction Coefficients

The initial reversible interaction of 1,3,5-trinitrobenzene and cyanide ion has been studied spectrophotometrically in a number of nonaqueous solvents and found to result in the formation of a complex containing 1,3,5-trinitrobenzene and cyanide ion in a 1:1 ratio. At 25.3 °C, the equilibrium constants for complex formation (K) and the molar extinction coefficients (ϵ) of the complex were found to be 1.44 ± 0.15 × 105 l mole−1 and 2.24 ± 0.05 × 104 l mole−1 cm−1 and 3.35 ± 0.35 × 105 l mole−1 and 2.24 ± 0.05 × 104 1 mole−1 cm−1 respectively for acetone and chloroform solutions. The second-order rate constant governing formation of the complex in chloroform was found to be 2.25 × 102 l mole−1 s−1 at 25.0 °C. On the basis of the visible and infrared absorption data obtained for the complex in chloroform and 1,2-dimethoxy-ethane, the complex is considered to be a Meisenheimer-type complex rather than a "charge-transfer" complex.

Charge-Transfer Complexes of Brominated Polycyclic Aromatic Hydrocarbons

1962 ◽  
Vol 15 (2) ◽  
pp. 278 ◽  
Author(s):  
TM Spotswood
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Charge Transfer ◽  
Aromatic Hydrocarbons ◽  
Charge Transfer Complex ◽  
Equilibrium Constants ◽  
Molecular Complexes ◽  
Charge Transfer Complexes ◽  
Extinction Coefficients ◽  
Polycyclic Aromatic ◽  
Molar Extinction Coefficients

Charge-transfer complex formation between the donors 1-bromonaphthalene. 9-bromophenanthrene, 9-bromoanthracene, 3-bromopyrene, and 7-bromobenz[a]-anthracene and the acceptors iodine, tetrachlorophthalic anhydride, 1,3,5-trinitrobenzene, and 2,4,7-trinitrofluorenone has been investigated. The positions of the charge-transfer absorption maxima, apparent molar extinction coefficients, and equilibrium constants have been determined in carbon tetrachloride solution and the results compared with those for the corresponding unsubstituted polycyclic aromatic hydrocarbons. The positions of the absorption maxima of the charge-transfer bands of the brominated hydrocarbons were anomalous but the apparent molar extinction coefficients and equilibrium constants were similar to those obtained for the parent hydrocarbons. The strength of charge-transfer bonding in molecular complexes of brominated polycyclic aromatic hydrocarbons is shown to be of the same order as that in molecular complexes of the unsubstituted hydrocarbons.

EXPERIMENTAL STUDIES OF SOLUTION PROCESSES: VI. EFFECT OF SOLVENT ON INFRARED ABSORPTION SPECTRA

1960 ◽  
Vol 38 (10) ◽  
pp. 1921-1926 ◽  
Author(s):  
P. A. D. De Maine ◽  
L. H. Daly ◽  
M. M. De Maine
Keyword(s):  
Infrared Absorption ◽  
Experimental Studies ◽  
Absorption Data ◽  
Frequency Shifts ◽  
Extinction Coefficients ◽  
Effect Of Solvent ◽  
Solution Processes ◽  
Pure Substances ◽  
Infrared Absorption Spectra ◽  
Molar Extinction Coefficients

Here are reported infrared absorption data between 4000 cm−1 and 700 cm−1 near 19 °C for methanol, n-propanol, isopropanol, cyclohexanol, benzyl alcohol, diethyl ether, anisole, 1,4-dioxane, diisopropyl ether, nitromethane, acetone, p-xylene, benzene, and hexane as pure substances and in carbon tetrachloride solution. Band frequencies accurate to within 1 cm−1 are reported. Except for the 3340 cm−1 band in dilute MeOH solutions no frequency shifts were observed even with gross changes of the electrical properties of the solutions. Molar extinction coefficients at absorption maxima are discussed briefly.

Charge transfer and electron transfer processes in biologically significant systems. 1. Charge transfer complex formation between 1,3,5-trinitrobenzene and N,N-dimethyl-3,4-di-O-methyldopamine, a dopamine analogue

1992 ◽  
Vol 70 (1) ◽  
pp. 151-157 ◽  
Author(s):  
Julian M. Dust
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Equilibrium Constants ◽  
Structural Analogue ◽  
Molecular Receptors ◽  
H Nmr ◽  
Transfer Processes ◽  
A Charge ◽  
Electron Transfer Processes ◽  
Probable Type

The interactions of N,N-dimethyl-3,4-di-O-methyldopamine, 1, a structural analogue of the important neurochemical, dopamine, with 1,3,5-trinitrobenzene (TNB) were studied primarily by 1H nuclear magnetic resonance (nmr). The dopamine analogue, a donor, forms a charge transfer complex with TNB, a model acceptor, in CDCl3 and CD3CN. Equilibrium constants were determined from the 1H nmr charge transfer induced chemical shift changes. The results are discussed in terms of the probable type of donation from the amine, 1, to TNB (n → π* versus π → π*), comparison with dopamine, and with regard to possible charge transfer interactions in molecular receptors. Keywords: N,N-dimethyl-3,4-di-O-methyldopamine, charge transfer complex, equilibrium constant.

Constraints on the determination of stability constants for metal complexes. II. The iron(III) phenolates

1968 ◽  
Vol 46 (14) ◽  
pp. 2385-2392 ◽  
Author(s):  
W. A. E. McBryde
Keyword(s):  
Metal Complexes ◽  
Stability Constants ◽  
Equilibrium Constants ◽  
Low Ph ◽  
Experimental Results ◽  
Good Precision ◽  
Acidity Constants ◽  
Extinction Coefficients ◽  
Molar Extinction Coefficients

Stability constants have been measured spectrophotometrically for the 1:1 complexes of iron(III) with phenol and five derivatives in background solutions having two different compositions, 0.027 M NaClO4 and 0 5 M KNO3 Conditional acidity constants for these phenols in the second of these media were also determined The experimental results were treated in two different ways to obtain values of the equilibrium constants and the molar extinction coefficients of the complexes It is apparent that the equilibrium in these cases must be studied under conditions, such as low pH and low concentration of iron, which militate against good precision in the results

scholarly journals Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex

2018 ◽  
Vol 149 (24) ◽  
pp. 244107 ◽  
Author(s):  
Tianji Ma ◽  
Matteo Bonfanti ◽  
Pierre Eisenbrandt ◽  
Rocco Martinazzo ◽  
Irene Burghardt
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Nonadiabatic Dynamics ◽  
A Charge

The Reagent Diphenyldiselane/Iodine: No Phenylselenenyl Iodide but a Charge Transfer Complex with Cyclic Moieties

1988 ◽  
Vol 27 (3) ◽  
pp. 431-433 ◽  
Author(s):  
Silvia Kubiniok ◽  
Wolf-Walther du Mont ◽  
Siegfried Pohl ◽  
Wolfgang Saak
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
A Charge

Possible low-temperature phase transition of Langmuir–Blodgett films of a charge–transfer complex detected by ESR

1998 ◽  
Vol 327-329 ◽  
pp. 391-394
Author(s):  
Keiichi Ikegami ◽  
Shin-ichi Kuroda ◽  
Tomoyuki Akutagawa ◽  
Taro Konuma ◽  
Takayoshi Nakamura ◽  
...  
Keyword(s):  
Phase Transition ◽  
Charge Transfer ◽  
Low Temperature ◽  
Charge Transfer Complex ◽  
Temperature Phase ◽  
Langmuir Blodgett ◽  
Langmuir Blodgett Films ◽  
Temperature Phase Transition ◽  
A Charge ◽  
Low Temperature Phase
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