Bulletin Autumn‧Winter 1999

A n o t h er o r g a n o s u l f ur c omp o u n d related to CH 3 SSCH 3 is HSCH 2 CH 2 SH. The researchers, using calculations, discovere d that HSCH 2 CH 2 SH requires 77 kcal mol -1 to split up into t wo CH 2 SH units, and 72 k c al m o l - 1 t o f r a gme nt i n t o HS a n d CH 2 CH 2 SH. The latter dissociation is more l i k e l y to occur since i t r equ i r es less electronic energy. Such 'bond energies' are important properties of these compounds . Wh e r e The ir S i gn i f i cance Lies Ab initio calculations p r o v i d e b o t h qua l i t a t i v e and quantitative results for novel chemical species. Man y of these results are important in their own righ t and, more significantly, they are often useful i n helping researchers to interpret and analyse the data they obtain f r om experiments done in their laboratories. Knowledge about the structure and energetics of air po l l u t i ng compounds also has important implications for environmenta l chemists i n thei r attempt to reduce air pollution. Profs. L i and So were motivated to do the p r o j e c t because d o i n g c h em i s t r y w i t h computers is economical and i t p r o v i des accurate results as well as reliable predictions. As the subjects of their studies are transient species, their computational results should prove to be helpful to experimentalists. A total of 17 publications i n international journals have resulted from this project. • Prof. Li Wai Kee, professor of chemistry, obtained his BS from the University ofIllinois in 1964 and his Ph.D. from the University ofMichigan in 1968. He joined the Department of Chemistry ofThe Chinese University in the same year. Prof. So Suk Ping, professor in the Department of Chemistry, obtained his B.Sc, and B.Sc.Sp. Hon. from the University ofHong Kong in 1963 and 1964 respectively, and his Ph.D. from McMaster University in 1969. He joined the Department of Chemistry of The Chinese University in the same year. Research News