Molecular Assemblies for Crystal Engineering 2

Course title

3M641000

Course content

In this class, the molecular symmetry and the crystallography will be treated in order to discuss molecular structure accurately, following 'Molecular Assemblies for Crystal Engineering 1'. We will need the basic knowledge to discuss the individual molecular structures and the crystal structures based on crystallography. In addition, the preparation of single crystals and treatment of the single-crystal X-ray structural analysis methods will be introduced. In the first half of the class the basic symmetric operations will be discussed; in the middle the handling of the single crystal structure analysis will be performed, in the latter half the CIF files and the corresponding structural analysis will be shown for discussion of basic crystal structures.

Purpose of class

This class will treat the symmetric operations and the fundamental crystallographic analysis method. Actually, crystallizations, crystal mount, measurement and analysis will be performed using Bruker D8 QUEST. In addition, the class aim to be able to read and understand the relevant data and structural image from CIF files.
1. To be able to explain the molecular structure from symmetry.
2. To be able to explain the CIF files required for crystal structure analysis.
3. To be able to carry out the basic single crystal structure analysis.
4. To be able to discuss the crystal structure using Mercury from CIF.

Goals and objectives

To be able to explain the molecular structure from symmetry.
To be able to explain the CIF files required for crystal structure analysis.
To be able to carry out the basic single crystal structure analysis.
To be able to discuss the crystal structure using Mercury from CIF.

Language

Japanese

Class schedule

	Class schedule	HW assignments (Including preparation and review of the class.)	Amount of Time Required
1．	Introduction of basic crystallography	Review of the contents.	190minutes
2．	Symmetry and point groups, Exercises	Review of the contents.	190minutes
3．	Basic crystallography and space groups, Exercises	Review of the contents.	190minutes
4．	Preparation of crystals and precautions to handle X-ray crystallographic analysis, Exercises	Review of the contents.	190minutes
5．	Handling of unstable crystals (Cutting and mounting operation in oil), Exercises	Review of the contents.	190minutes
6．	Crystallization techniques, Exercises	Review of the contents.	190minutes
7．	Single crystal structural analysis (1): crystal selections and measurements	Review of the contents.	190minutes
8．	Single crystal structural analysis (1): analysis and CIF check	Review of the contents. It is desirable to bring a personal computer.	190minutes
9．	Single crystal structural analysis (2): crystal selections and measurements	Review of the contents.	190minutes
10．	Single crystal structural analysis (2): analysis and CIF check	Review of the contents. It is desirable to bring a personal computer.	190minutes
11．	Handling and imaging of crystal data (1), Exercises	Review of the contents. It is desirable to bring a personal computer.	190minutes
12．	Handling and imaging of crystal data (2), Exercises	Review of the contents. It is desirable to bring a personal computer.	190minutes
13．	Handling and imaging of crystal data (3), Exercises	Review of the contents. It is desirable to bring a personal computer.	190minutes
14．	Term-end examination (actually handling crystals and deciphering crystal data)	Review of all contents.	190minutes
Total.	-	-	2660minutes

Relationship between 'Goals and Objectives' and 'Course Outcomes'

	Exercises	Term-end examination	Total.
1.	10%	10%	20%
2.	10%	10%	20%
3.	30%	10%	40%
4.	10%	10%	20%
Total.	60%	40%	-

Evaluation method and criteria

Grading will be decided based on the exercise (60%), term-end examination (40%). To pass, students must earn at least 60 points to of 100.

Textbooks and reference materials

'A Guide to CIF for Authors' from International Union of Crystallography.

Prerequisites

It is desirable that you attended 'Molecular Assemblies for Crystal Engineering 1'.

Office hours and How to contact professors for questions

Please ask every time in your class if you have questions and problems. After the class, we will accept questions and consultation at Rm 3100-1 (Thursday, 15:00~18:00) in Omiya campus.

Relation to the environment

Non-environment-related course

Regionally-oriented

Non-regionally-oriented course

Development of social and professional independence

Course that cultivates an ability for utilizing knowledge
Course that cultivates a basic problem-solving skills

Active-learning course

Most classes are interactive

Last modified : Wed Oct 17 07:56:56 JST 2018