Kinetics and thermodynamics of hydrogen-bond formation and proton-transfer in the reactions of tetrabromophenolphthalein ethyl ester with amine bases in chlorobenzene, by a microwave temperature-jump method

1973 ◽  
Vol 69 (0) ◽  
pp. 1000 ◽  
Author(s):  
Edward F. Caldin ◽  
John E. Crooks ◽  
Derek O′Donnell
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Ethyl Ester ◽  
Temperature Jump ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Kinetics And Thermodynamics

scholarly journals Proton transfer equilibria, temperature and substituent effects on hydrogen bonded complexes between chloranilic acid and anilines

2000 ◽  
Vol 14 (3) ◽  
pp. 99-107 ◽  
Author(s):  
Gamal A. Gohar ◽  
Moustafa M. Habeeb
Keyword(s):  
Hydrogen Bond ◽  
Complex Formation ◽  
Proton Transfer ◽  
Equilibrium Constants ◽  
Bond Formation ◽  
Substituent Effects ◽  
Substituted Anilines ◽  
Chloranilic Acid ◽  
Hydrogen Bond Formation ◽  
Linear Relationships

The proton transfer equilibrium constants (KPT) for 1 : 1 complex formation between Chloranilic Acid (CA) and a series ofp- andm‒substituted anilines have been measured in 1,4-dioxane spectrophotometrically. The results supported the concept of amine-solvent hydrogen bond formation (short range solvation effect). Beside, this effect, theKPTvalues were apparently affected by the electron donation power of the aniline ring substituent, which was transmitted to the interaction center via resonance and inductive effects. Linear relationships betweenKPTand σ-Hammett substituent constants, or pKvalues formandpanilines,were obtained verifying the above conclusions. The solute-solvent hydrogen bond formation might increase the reactivity of the aniline nitrogen than would the inductive effect of the alkyl group, in case of CA-N-alkyl aniline complexes. The thermodynamic parameters for the proton transfer complex formation were estimated and it was indicated that the solvent–aniline hydrogen bond formation was preferred in the case ofp-substituted aniline complexes more than in the case of the correspondingm‒isomer. It has been found that the proton transfer process was enthalpy and entropy controlled.

scholarly journals Excited-state intramolecular proton transfer in a bioactive flavonoid provides fluorescence observables for recognizing its engagement with target proteins

2019 ◽  
Vol 18 (9) ◽  
pp. 2270-2280 ◽  
Author(s):  
Davide Vanossi ◽  
Monica Caselli ◽  
Giorgia Pavesi ◽  
Chiara Borsari ◽  
Pasquale Linciano ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Excited State ◽  
Proton Transfer ◽  
Bond Formation ◽  
Intermolecular Hydrogen Bond ◽  
Intramolecular Proton Transfer ◽  
Hydrogen Bond Formation ◽  
Target Proteins ◽  
Emission Properties

Intra- vs. intermolecular hydrogen-bond formation and ESIPT in a bioactive flavonoid result in different emission properties and provide a clue for recognizing its binding to target proteins.

Anion Receptors Containing -NH Binding Sites: Hydrogen-Bond Formation or Neat Proton Transfer?

2005 ◽  
Vol 11 (1) ◽  
pp. 120-127 ◽  
Author(s):  
Valeria Amendola ◽  
Massimo Boiocchi ◽  
Luigi Fabbrizzi ◽  
Arianna Palchetti
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Binding Sites ◽  
Bond Formation ◽  
Anion Receptors ◽  
Hydrogen Bond Formation

Vapochromism induced by intermolecular electron transfer coupled with hydrogen-bond formation in zinc dithiolene complex

2020 ◽  
Vol 8 (42) ◽  
pp. 14939-14947
Author(s):  
So Yokomori ◽  
Shun Dekura ◽  
Tomoko Fujino ◽  
Mitsuaki Kawamura ◽  
Taisuke Ozaki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Electron Transfer ◽  
Bond Formation ◽  
Intermolecular Electron Transfer ◽  
Hydrogen Bond Formation ◽  
Complex Crystal

A novel vapochromic mechanism by intermolecular electron transfer coupled with hydrogen-bond formation was realized in a zinc dithiolene complex crystal.

Diverse mechanisms of carbon-hydrogen bond formation through binuclear reductive elimination reactions

1982 ◽  
Vol 104 (2) ◽  
pp. 619-621 ◽  
Author(s):  
Mario J. Nappa ◽  
Roberto Santi ◽  
Steven P. Diefenbach ◽  
Jack Halpern
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Hydrogen Bond Formation ◽  
Elimination Reactions

Theoretical analysis of the (HNO)2, (HNO···HNS), and (HNS)2 dimers — A case of red and blue shifts of N–H stretching frequency

2010 ◽  
Vol 88 (8) ◽  
pp. 849-857 ◽  
Author(s):  
Nguyen Tien Trung ◽  
Tran Thanh Hue ◽  
Minh Tho Nguyen
Keyword(s):  
Hydrogen Bond ◽  
Quantum Chemical ◽  
Bond Formation ◽  
Blue Shift ◽  
Proton Donor ◽  
Basis Sets ◽  
Coupled Cluster ◽  
Hydrogen Bond Formation ◽  
Length Contraction ◽  
Moller Plesset

The hydrogen-bonded interactions in the simple (HNZ)2 dimers, with Z = O and S, were investigated using quantum chemical calculations with the second-order Møller–Plesset perturbation (MP2), coupled-cluster with single, double (CCSD), and triple excitations (CCSD(T)) methods in conjunction with the 6-311++G(2d,2p), aug-cc-pVDZ, and aug-cc-pVTZ basis sets. Six-membered cyclic structures were found to be stable complexes for the dimers (HNO)2, (HNS)2, and (HNO–HNS). The pair (HNS)2 has the largest complexation energy (–11 kJ/mol), and (HNO)2 the smallest one (–9 kJ/mol). A bond length contraction and a frequency blue shift of the N–H bond simultaneously occur upon hydrogen bond formation of the N–H···S type, which has rarely been observed before. The stronger the intramolecular hyperconjugation and the lower the polarization of the X–H bond involved as proton donor in the hydrogen bond, the more predominant is the formation of a blue-shifting hydrogen bond.

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