Gas phase basicity of X(CH2)3Y(X, Y = OH, NH2) by the thermokinetic method

G. Bouchoux (1) , D.-A. Buisson (1)

1 DCMR - Laboratoire des mécanismes réactionnels

Gas phase basicity of three homologuous bidentate bases: 1,3-propanediamine, 1, 1,3-propanolamine, 2, and 1,3-propanediol, 3, has been determined by Fourier transform ion cyclotron resonance mass spectrometry. Both, the equilibrium and the thermokinetic methods were used and the results were compared with previous experimental and theoretical determinations. An excellent agreement is generally found between the gas phase basicities given by all the methods if corrections due to entropy variations are taken into account. In particular it is shown that a correction given by the term ?Ga°=-(T- 298)["?pS298°(Bi)"-?pS298°(M)], where T is an "effective temperature" and ?pS° the protonation entropy of the considered species, should be applied to the thermokinetic determination. © 2005 Elsevier B.V. All rights reserved.

Domaines: Chimie théorique et/ou physique

G. Bouchoux, D.-A. Buisson. Gas phase basicity of X(CH2)3Y(X, Y = OH, NH2) by the thermokinetic method. International Journal of Mass Spectrometry, 2006, 249-250, pp.412-419. ⟨10.1016/j.ijms.2005.11.023⟩. ⟨hal-00904615⟩