Free-energy patterns in inclusion complexes: the relevance of non-included moieties in the stability constants

2017 ◽  
Vol 19 (7) ◽  
pp. 5209-5221 ◽  
Author(s):  
Tânia F. G. G. Cova ◽  
Sandra C. C. Nunes ◽  
Alberto A. C. C. Pais
Keyword(s):  
Free Energy ◽  
Complex Formation ◽  
Inclusion Complexes ◽  
Stability Constants ◽  
Naphthalene Derivatives ◽  
The Stability

A MD/PMF-based procedure is designed for quantification of the interaction and respective components, guiding complex formation in water between β-CD and several naphthalene derivatives, highlighting the relevance of substituents.

Chelating Tendencies of some N-(2-Acyl-1,3-Indandione) Tri Alkyl Ammonium Iodides

1971 ◽  
Vol 26 (9) ◽  
pp. 865-867
Author(s):  
M. K. Bachlaus ◽  
K. L. Menaria ◽  
P. Nath
Keyword(s):  
Free Energy ◽  
Complex Formation ◽  
Stability Constants ◽  
Copper Complex ◽  
Dissociation Constants ◽  
Iron Complex ◽  
Potentiometric Studies ◽  
The Stability ◽  
Alkyl Ammonium

The L-T.M.A.I. and L-T.E.A.I. have been synthesised and their dissociation constants are 7.943 × 10-10 and 1.413 × 10-10 respectively. The potentiometric studies show that these reagents form 1 : 1 complex with copper (II) and iron (II). The stability constants of copper complex and iron complex with L-T.M.A.I. are 5.75 and 6.05 respectively and for L-T.E.A.I., 5.97 and 6.215 respectively. The free energy of complex formation at 25°C are 7841 cals/mole and 8150 cals/mole for Cu(II) -L-T.M.A.I. and Fe(II) -L-T.M.A.I. respectively, whereas the free energy of the Cu(II) -L-T.E.A.I. and Fe(II) -L-T.E.A.I. are 8141 cals/mole and 8375 cals/mole respectively.

Equilibrium Studies of Alkyltin(IV) Complexes with D-Glucosamine

1997 ◽  
Vol 62 (7) ◽  
pp. 1023-1028 ◽  
Author(s):  
Mohamed M. Shoukry ◽  
Samir M. El-Medani
Keyword(s):  
Complex Formation ◽  
Stability Constants ◽  
Acid Base ◽  
Complex Formation Equilibria ◽  
Equilibrium Studies ◽  
Formation Equilibria ◽  
Effects Of Temperature ◽  
The Stability

The acid-base and complex-formation equilibria involving glucosamine and its complexes with alkyltin(IV) chlorides have been studied by potentiometric technique. The results prove to a formation of 1 : 1 complex with trialkyltin(IV) and both 1 : 1 and 1 : 2 complexes with dialkyltin(IV) species. The stability constants in water were determined, the effects of temperature (from 15 to 35 °C) and ethanol (up to 88 vol.%) was studied and the speciation of the complexes was resolved.

The affinity of aldehydic compounds to complex formation. Nickel(II) and cobalt(II) complexes with 2-pyridinecarboxaldehyde

1977 ◽  
Vol 55 (14) ◽  
pp. 2613-2619 ◽  
Author(s):  
M. S. El-Ezaby ◽  
M. A. El-Dessouky ◽  
N. M. Shuaib
Keyword(s):  
Complex Formation ◽  
Aqueous Solutions ◽  
Stability Constants ◽  
Metal Ion ◽  
Experimental Conditions ◽  
Complex Species ◽  
Spectrophotometric Methods ◽  
Complex Equilibria ◽  
The Stability ◽  
Hydroxy Groups

The interactions of Ni(II) and Co(II) with 2-pyridinecarboxaldehyde have been investigated in aqueous solutions at μ = 0.10 M (KNO3) at 30 °C. The stability constants of different complex equilibria have been determined using potentiometric methods. Spectrophotometric methods were also used in the case of the nickel(II) – 2-pyridinecarboxaldehyde system. It was concluded that nickel(II) and cobalt(II), analogous to copper(II), enhance hyrdation of 2-pyridinecarboxaldehyde prior to deprotonation of one of the geminal hydroxy groups. Complex species of 1:1 as well as 1:2 metal ion to ligand composition exist under the experimental conditions used.

Chelating Tendencies of Some N-(2-Acetyl-1,3-Indandione) Trialkyl Ammonium Iodides with Transition Metal Ions

1973 ◽  
Vol 28 (5-6) ◽  
pp. 317-318 ◽  
Author(s):  
M. K. Bachlaus ◽  
K. L. Menaria ◽  
P. Nath
Keyword(s):  
Free Energy ◽  
Complex Formation ◽  
Transition Metal ◽  
Copper Complex ◽  
Dissociation Constants ◽  
Transition Metal Ions ◽  
Iron Complex ◽  
Potentiometric Studies ◽  
Kcal Mole ◽  
The Stability

The ligands T.P.A.I.* and T.B.A.I.** have been synthesised and their dissociation constants are 1.738 · 10-10 and 1.412 · 10-8 respectively. The potentiometric studies show that these reagents form 1 : 1 complex with copper(II) and iron(II). The stability constants of copper complex and iron complex with T.P.A.I. are 6.43 and 6.51 respectively and for T.B.A.I. 4.36 and 4.24 respectively. The free energy of complex formation at 25°C are 8.76 Kcal/mole and 8.87 Kcal/mole for Cu (II)-T.P.A.I. and Fe (II)-T.P.A.I. respectively, whereas the free energy of the Cu (II)-T.B.A.I. and Fe(II)-T.B.A.I. are 5.94 Kcal/mole and 5.78 Kcal/mole respectively.

Die Komplexbildung von Tris(dihydroxy-phosphonylmethyl)phosphinoxid* mit einigen zweiwertigen Kationen / Complex Formation of Some Divalent Cations with Tris(dihydroxy-phosphonylmethyl)phosphine Oxide

1977 ◽  
Vol 32 (5) ◽  
pp. 547-550 ◽  
Author(s):  
G. Anderegg
Keyword(s):  
Complex Formation ◽  
Stability Constants ◽  
Phosphine Oxide ◽  
Divalent Cations ◽  
Ph Measurements ◽  
The Stability

The formation of the 1:1 complexes of Mg2+, Ca2+, Ni2+, Cu2+ and Zn2+ with tris-(dihydroxy-phosphonylmethyl)phosphine oxide has been studied by pH measurements. The values of the stability constants and their trend is similar to that found for the complexes of tripolyphosphate.

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