TY - JOUR
T1 - Monomer Reactivity in Functionalized Vinyl Copolymers
T2 - A Theoretical Approach
AU - Gatica, Nicolás
AU - Gargallo, Ligia
AU - Radić, Deodato
PY - 2004/2
Y1 - 2004/2
N2 - This work studies how the variation of the inter-atomic distance affects the total energy in addition reactions of several vinyl radicals on vinyl monomers. Based on the energetic profiles obtained, the corresponding activation energies were evaluated and correlated with the relative reactivity of the monomers forming the vinyl copolymers poly(2-vinylpyridine-co-N-vinyl-2-pyrrolidone), poly(4-vinylpyridine-co-N-vinyl-2-pyrrolidone), poly(vinyltrimethylsilane-co-N-vinyl-2-pyrrolidone) and poly(vinyl-cyclohexane-co-N-vinyl-2-pyrrolidone), previously characterized with an estimation of their monomer reactivity ratios (MRR). The results are discussed as a theoretical support to a work developed in the general framework of the synthesis and characterization of functionalized vinyl copolymers.
AB - This work studies how the variation of the inter-atomic distance affects the total energy in addition reactions of several vinyl radicals on vinyl monomers. Based on the energetic profiles obtained, the corresponding activation energies were evaluated and correlated with the relative reactivity of the monomers forming the vinyl copolymers poly(2-vinylpyridine-co-N-vinyl-2-pyrrolidone), poly(4-vinylpyridine-co-N-vinyl-2-pyrrolidone), poly(vinyltrimethylsilane-co-N-vinyl-2-pyrrolidone) and poly(vinyl-cyclohexane-co-N-vinyl-2-pyrrolidone), previously characterized with an estimation of their monomer reactivity ratios (MRR). The results are discussed as a theoretical support to a work developed in the general framework of the synthesis and characterization of functionalized vinyl copolymers.
KW - Activation energy
KW - Addition reactions
KW - Functionalized vinyl copolymers
KW - Monomer reactivity ratios
UR - https://www.scopus.com/pages/publications/1442282496
U2 - 10.1081/MA-120027302
DO - 10.1081/MA-120027302
M3 - Article
AN - SCOPUS:1442282496
SN - 1060-1325
VL - 41 A
SP - 181
EP - 188
JO - Journal of Macromolecular Science, Part A: Pure and Applied Chemistry
JF - Journal of Macromolecular Science, Part A: Pure and Applied Chemistry
IS - 2
ER -