Herbert A. Hauptman

As a result of your activities, the possibilities of X-ray crystallography have tremendously expanded. How would you characterize this development  

The work was picked up immediately by the Braggs, father and son, who, by interpreting the scattering of X-rays as reflection from the different planes in the crystal were able to deduce the structures of some very simple crystals in the years 1913 and 1914. And for this they got the Nobel Prize in 1915. That was the beginning of X-ray crystallography. 

Certainly, no one could possibly have thought in those years that X-ray crystallography would grow and become of such major importance in the next 80 years. 

It is true that in those years there was at least one method that might be called a more direct method. This was the method that Patterson had developed by introducing his famous Patterson function, which was simply the Fourier series with coefficients that were the intensities of the scattered X-rays. With this method, one was able to deduce information about the interatomic vectors, and, if the structure was not too complicated, one could then calculate the actual arrangement of the atoms. Crystallographers were surely getting structures in this way. 

On the other hand, they were firmly convinced that the X-ray diffraction pattern was insufficient to determine unique crystal structures. What was 

---

If the Patterson method cannot be applied because the structure has no or too many heavy atoms, it is possible to use another approach for phase determination, the so-called direct methods. By the term direct methods is meant that class of methods which exploits relationships among the structure factors in order to go directly from the observed magnitudes E to the needed phases < ) (Herbert A. Hauptman, Nobel lecture, 9. Dec., 1985). The direct method approach for solving the phase problem uses probability... 

KARI.E, JEROME <1918—). An American physical chemist who won the Nobel prize for chemistry along with Herbert A. Hauptman in 1985. He developed a series of mathematical equations that allow determination of phase information from X-ray crystallography intensity patterns. The advent of computers allowed the use of the equations to determine the ennlormation of thousands of chemicals. The work was done at Ihe Naval Research Laboratory in Washington. DC., where Karle headed the Laboratory for the Structure of Matter. 

Herbert A. Hauptman, Nobel taureafe, Hauptman-Woadward Medical Research Institute, Buffalo... 

J. Karle and H. Hauptman, A theory of phase determination for the four types of non-centrosymmetric space groups, Acta Cryst. 9, 635 (1956). Jerome Karle, US crystallographer, and Herbert A. Hauptman, US mathematician, laid a foundation towards the development of modem direct phase determination techniques. They won 1985 Nobel Prize in Chemistry for their outstanding achievements in the development of direct methods for the determination of crystal stmctures - http //www.nobel.se/ chemistry/laureates/1985/. 

Herbert A. Hauptman, Jerome Karle For their outstanding achievements in the development of direct methods for the determination of crystal structures. ... 

Fig. 1.7 John A. Pople (second from l ) and Herbert A. Hauptman (second from right) at the 10th CCTCC in the company of the tuithor on the left and Peter Pulay, the initiator of the force method, on the right (Photograph by Jerzy Leszczynski, 2001)...

Karle, Jerome (b. 1918) American chemist whose research advanced the understanding of chemical composition. His research in the use of X-ray crystallography to determine the structure of crystal molecules earned him the 1985 Nobel Prize in chemistry, which he shared with American chemist Herbert A. Hauptman. 

Herbert A. Hauptman, Jerome Karle 1928 Adolf Windaus... 

---