A study of thermodynamic properties of halogenated methane by the method of chemical bond parameter function

Molecular structural parameters including inductive effect index(∑I),equilibrium electronegativity of atom(XE),total electron of atom nuclear external(∑e),total bond length of substituents to center atom(∑d) and electronegativity margin for all substituents(ΔX) were used model the 13C chemical shift of 45 halogenated methane.

A correlation was investigated between the boiling points and molecular structure of halogenated methanes, and a new method was developed to calculate and predict the boiling points of halogenated methanes.

Effect of Electronegativity and Polarizability on the C 1s Core Ionization Energies of Halomethanes;

The electrostatic effect constants for the substituents in an aromatic system were used firstly to study the bond dissociation enthalpy (BDE) of a halomethane system Y-CHnX3-n (n=0,1,2 and 3; Y=H,F,Cl,Br and I; X=F,Cl,Br and I).

It is observed that the removal efficiencies and the sonolysis rate constants of three halomethanes after 1h ultrasonic irradiation fitted the following increasing order:CHCl3< CHBrCl2<CCl4,and the degradation of halomethanes studied followed the pseudo-first-order kinetics model,respectively.