Screening for novel perhydrates

Abstract

This thesis describes an investigation into the conditions needed to form perhydrates and their detection and characterisation using X-ray crystallography. Perhydrates are defined in the introductory chapter along with a review of their crystal structures. The intermolecular interactions that help retain hydrogen peroxide within the crystal are also considered in this chapter. The second chapter describes the theory and practice of X-ray diffraction as X- ray crystallography is the main tool used in this thesis. Chapter 3 analyses the structural and stability studies of sodium formate monoperhydrate and trisodium trimesate sesquiperhydrate trihydrate. Hydrogen bonding of monoguanidinium hydrogen isophthalate monoperhydrate and bis guanidinium isophthalate monohydrate are examined in Chapter 4. Chapter 5 discusses the use of the guanidinium and sodium salts of piperazine-N, N′bis (2-ethanesulfonate) N-Oxide as hydrogen peroxide hosts. Chapter 6 describes the perhydrates of bis guanidinium N,N’-2-carboxylate-6-methyl1-nitrosobenzene and both the bis guanidinium and bis sodium salts of 3,5dicarboxylate-1-nitrobenzene. Conclusions and further work are drawn in Chapter 7. Appendix1 explains the attempts of how systematic micro-crystallisation and powder X-ray diffraction can be used to screen for novel crystalline phases and presents experimental details of the micro-crystallisation reactions carried out in the current study. The results of powder XRD analysis of the micro-crystallisation products are also reported and discussed in this chapter in Appendix 1 and the structure of three novel perhydrates are reported in Appendix 2.

Date of Award	31 Dec 2018
Original language	English
Awarding Institution	The University of Manchester
Supervisor	Alan Brisdon (Supervisor) & Robin Pritchard (Supervisor)