After completing his education, Taube remained in the United States, becoming an instructor in chemistry at Berkeley until 1941. He initially wanted to return to Canada to work, but did not receive a response when he applied for jobs at the major Canadian universities. From Berkeley, he served as an instructor and assistant professor at Cornell University until 1946. During World War II, Taube served on the National Defense Research Committee. Taube spent time at the University of Chicago as an assistant professor, associate professor and as a full professor from 1946 to 1961. He served as chair of the chemistry department in Chicago from 1956 to 1959, but did not enjoy administrative work. After leaving Chicago, Taube worked as a professor at Stanford University until 1986, a position that allowed him to focus on research, while also teaching classes at the undergraduate and graduate levels. He became a Professor Emeritus at Stanford in 1986, but he continued to perform research until 2001, and visited his labs every day until his death in 2005. In addition to his academic duties, Taube also served as a consultant at Los Alamos National Laboratory from 1956 until the 1970s.
When looking back on his research, Taube explained that he sometimes had difficulty finding graduate students willing to work on electron transfer reactions, as they preferred to work on more "exciting" projects in his laboratory focusing on the effects of isotopic tracers and kinetics. Taube felt that a "primary flaw" with his correlation between electron configuration and ligand substitution was that it was described mainly in terms of valence bond theory, as crystal field theory and ligand field theory were not well established when he published his work in 1952.
Colleagues remember Taube as a dedicated scientist, Jim Collman of Stanford said "Henry was a scientist's scientist and a dominant figure in the field of inorganic chemistry." Harry Gray, a professor at California Institute of Technology said, "He was in a class by himself, a role model and leader whom we all admired and loved." Former student Peter Ford remembers that Taube "made chemistry not only challenging and stimulating, but a lot of fun as well."
After completing his graduate studies, Taube became a naturalized citizen of the United States in 1942. Taube married his wife Mary in 1952. They had three children, Karl, Heinrich, and Linda. His stepdaughter Marianna died of cancer in 1998. When he stopped his active research projects in 2001, Taube continued to be available as a reviewer and consultant, but his main goal was "enjoying life". Away from chemistry, Taube had varied interests including gardening and classical music, mainly opera. In 2003 he was one of 22 Nobel laureates who signed the Humanist Manifesto.
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