School of Physical and Chemical Sciences Te Kura Matū Seminar Series

This is the seventh in a series of joint school seminars showcasing SPCS research …..

Speaker

Sarah Masters and Konstantin Pavlov

Institute

School of Physical and Chemical Sciences Te Kura Matū

Time & Place

Fri, 07 Jun 2019 11:00:00 NZST in West Room 701, Level 7

All are welcome

Abstract

Sarah Masters:- What exactly *do* I do all day?

The diversity of chemistry yields molecules and materials that can still surprise us. Many structures are counter-intuitive, and may be poorly predicted by computational methods. Nevertheless, the determination of such structures, the key to understanding properties, remains a core enabling technique for the support of synthetic chemistry. Molecular imaging using gas electron diffraction (GED) provides a mechanism to determine gaseous structures without the distorting effects of intermolecular interactions. Such experimentally determined gas-phase structures are used by chemists to gain further insight into chemical and physical properties of molecules and into chemical reactions, thermodynamics and mechanisms of processes. Structural data for model systems are also vital for theoreticians, who can use the information to gauge the accuracy of new computational methods.

This presentation will introduce the technique and outline an application of the technology, discussing the rather tricky study of tris(chloromethyl)amine. I’ll outline an enduring story of a low-frequency, large-amplitude vibrational mode and the challenges we faced as we solved the structure.

 Finally I’ll try to answer the far harder question my kids ask me all the time, and the inspiration for the title of this talk!

 **For this seminar come armed with some technology (smartphone, laptop, iPad, etc) and be prepared to interact!**

 ******************************

Konstantin Pavlov:- Nano steps at Mega facilities.

In this short talk I will be sharing with you a few interesting results I published last year in collaboration with my colleagues. In particular, you will be learning about three outcomes in different areas of X-ray physics:

a)    progress towards implementation of medical phase-contrast breast CT at synchrotrons,

b)    how deterministic Bragg Coherent Diffraction Imaging (BCDI) approaches simultaneously speed up the reconstruction procedure and improve the quality of structural information (defects, deformation etc),

c)    a theory of X-ray diffraction by a crystal with a surface relief/gratings.  

All Welcome