A computer analysis of NMR-determined interatomic distances in steontium formate

Abstract

This thesis comprises a computer analysis of NMR-determined interatomic distance in strontium formate dihydrate. The computer program is designed to locate the hydrogen atoms associated with the water molecules in strontium formate dihydrate. The bond length of the oxygen-hydrogen bond is assumed to be fixed. The program varies the hydrogen separation, plotting total proton interaction against the hydrogen separation distance. Using Van Vleck's second moment theory, the hydrogen-hydrogen distances were determined.. The value of the second moment of the NMR absorption curve is 24.6 gauss2, obtained from investigation by Dr. D. E. Koltenbah. The result of this thesis is that the proton separation is 1.47± .02 A. This result is found to be close enough to other studies to conclude that the program analysis is essentially sound.