This book entitled
2. Results and discussion
Herein, as an example, a study on fire materials and possibility to apply these approaches is mentioned. The flame retardants prevent the burning of the material by either cutting the air supply or enhancing the requirements of oxygen. Some of the flame retardant used in the PVC or polymers can be classified as follows: (a) phosphorous compounds, (b) halogen compounds, (c) halogen phosphorous compounds, and (d) bicarbonates and inorganic oxides and borates. Some of the flame retardants may be broadly classified as halogen, and the aim of this example study is to prepare brominated (potential flame retardants) metal complexes to use as DSSC dyes, too. Crystal structure (space group
However, TG-DTA (Figure 4), a typical thermal analysis with “temperature” of crystalline complexes as well as hybrid materials dispersed in several types of polymer films was less relevant to merely molecular symmetry. Furthermore, chemical reactions changing chemical species accompanying with “time” may be difficult to understand within the framework of symmetry. To discuss time-dependent chemical reaction, molecular dynamics may be a useful theoretical method of recently developed computations (Figure 5), while spectral detection of product gases (Figure 6) is sometimes possible to investigate closely rather than materials of solid states.
In this way, mathematical treatments of symmetry in chemistry can often lead to deep understanding, though it sometimes is not useless depending on conditions or phenomenon of targets. Similarly, theoretical computation should be carried out considering their limitation and frameworks (presupposition of theory).
The author thanks Mrs. Keita Takahashi, Marin Yamaguchi, Shinosuke Tanaka, Kazuya Takakura; Profs. Mutsumi Sugiyama, Masayuki Mizuno, Ken Matsuyama, Kazunaka Endo (Tokyo University of Science); and Prof. Tomonori Ida (Kanazawa University), Prof. Mauricio Alcolea Palafox (Universidad Complutense de Madrid), and Prof. Rakesh Kumar Soni (Chaudhary Charan Singh University) for providing examples of studies.
Cotton FA. Chemical Applications of Group Theory. 3rd ed. Wiley-Interscience; 1990
Takahashi K, Tanaka S, Yamaguchi M, Tsunoda Y, Akitsu T, Sugiyama M, Soni RK, Moon D. Dual purpose Br-containing Schiff base Cu(II) complexes for DSSC dyes and polymer flame retardants. Journal of the Korean Chemical Society. 2017; 61:129-131
Yamaguchi M, Takahashi K, Akitsu T. Molecular design through TD-DFT calculation of chiral salen CuII complexes toward NIR absorption for DSSC. Journal of the Indian Chemical Society. 2016; 93:921-927