Application of a logistic regression to interpretation of results is illustrated by spectrophotometric data on solid-state polymerization of symmetric and asymmetric diyne carbamates.Use of organic solvents in modern large-tonnage chemical industry may be a source of ecological problems because of the possible uncontrolled development of chemical processes performed. Therefore, chemical transformations in the solid phase have a clear advantage and development of methods for carrying out processes of this kind is a task of a rapidly developing, ecologically safe [green chemistry] [1]. The reaction of solid-state topochemical polymerization (STP) has been discovered by Wegner for the example of 2,4-hexadiyne-1,6-diol HOCH 2 C=CC=CCH 2 OH [2]. STP of functionally substituted diacetylenes (DA) belongs to one of classes of topochemical reactions and consists in a diffusionless transition of monomer crystals into polymer crystals, with the centers of mass of monomer units retaining their crystallographic position. Such a stereospecific polymerization, governed by the monomer packing in the crystal lattice, yields a stereoregular polymer with a linear arrangement of molecules and small number of structural defects [3]. As is known, a key influence on the course of such STP is exerted by the long-range order in the crystal lattice of a monomer. STP to give polydiacetylenes (PDA) can be initiated by ultraviolet or gamma-ray irradiation, as well as by X-rays or a flow of beta-decay electrons. In some cases, STP is also possible upon heating of the starting monomers [4].PDA find increasingly wide use as a chromatic element in biosensors [537]. However, of particular interest to researchers are their unique optical properties, because their third-order optical susceptibility coefficients c (3) reach, for this class, the most optimal values among all the known organic compounds. In this context, a study of PDA has become, from a particular area of the chemistry of polymers, an inderdisciplinary field of intensive research including synthesis of new DA and PDA, analysis of the STP mechanism, spectroscopy, materials science, and even chemistry of biomimetics [8].One of the most important tasks in studies of STP is to establish relationships between structural features of monomer DA and their activity in STP. The best studied, in this regard, monomer is bis( p-tolyl) hexa-2,4-diyne-1,6-diol sulfonate [9], for which an induction period and an autocatalytic stage have been observed in UV-and radiation-initiated STP. In the first case (UV irradiation), the rate of TPS markedly decreases as the conversion becomes higher, which can be attributed to transfer of the energy of the excited state of the monomer to the polymer chain [10]. As a rule, STP is only observed in those DA whose substituents contain groups that can form hydrogen bonds or be involved in a dipole3dipole interaction. In this context, DA that contain urethane groups as substituents in the side chain and can form intermolecular hydrogen bonds in neighboring stacks of d...
