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本文用紫外光谱、红外光谱以及扩展的休克尔（Hckel）分子轨道方法研究了2—巯基苯并噻唑的电子和键合状态及其在黄铁矿表面的吸附。2—巯基苯并噻唑在溶液中更多地以硫酮而不是硫醇的形式存在，其两个吸附峰都归因于电子的π－π*跃进。2－巯基苯并噻唑在黄铁矿表面的化学吸附主要是由于黄铁矿表面的铁和2－巯基苯并噻唑中的硫之间的键合。
In this paper, the electronic and bonding states of 2-mercaptobenzothiazole and its adsorption on the surface of pyrite were investigated by UV-Vis spectroscopy, infrared spectroscopy and extended Hckel molecular orbital method. 2-mercaptobenzothiazole exists more as a thione rather than a thiol in solution, both of which are due to the π-π * jump of the electrons. The chemisorption of 2-mercaptobenzothiazole on the pyrite surface is mainly due to the bond between the iron on the pyrite surface and the sulfur in 2-mercaptobenzothiazole.