Module Catalogue

CHY2401 : Structural Chemistry

  • Offered for Year: 2020/21
  • Module Leader(s): Dr Corinne Wills
  • Lecturer: Dr John Errington, Dr Mike Probert
  • Practical Supervisor: Dr Hanno Kossen
  • Owning School: Natural and Environmental Sciences
  • Teaching Location: Newcastle City Campus
Semesters
Semester 1 Credit Value: 20
ECTS Credits: 10.0

Aims

To introduce the principles of NMR spectroscopy and to familiarise students with the analysis of the NMR spectra of some organic and inorganic compounds; to explain the principles of X-ray diffraction by single crystals and the application of these principles in practical structure determination; to provide students with an appreciation and understanding of all aspects of modern mass spectrometry, building on their knowledge of traditional electron impact mass spectrometry; to provide the necessary background for the interpretation of the vibrational spectra of inorganic and organic molecules

Outline Of Syllabus

Magnetic Resonance Spectroscopy and Organic Compound Identification
Dr C Wills

1 Revision of NMR spectroscopy
2 Chemical shifts and splitting patterns
3 Carbon 13 NMR and 2D NMR and their uses
4-6 Interpreting NMR spectra and other analytical data in identification of organic compounds

Magnetic Resonance Spectroscopy and Inorganic Compound Identification
Dr C Wills

1 More complex NMR techniques and their uses
2-3 Nuclei with spins >1/2 and their spectra
4 Dynamic NMR and interpreting temperature dependent spectra
5-6 Identification of inorganic/organometallic compounds by interpretation of NMR spectra and other analytical data

Crystallographic Methods
Dr M Probert

1 Introduction; the basis of crystallographic methods
2 Diffraction of X-rays by molecules and crystals: geometry and symmetry
3 The intensities of diffracted X-rays
4 Crystallography practice: from sample to diffraction pattern
5 Crystallography practice: from diffraction pattern to structure
6 Results and their significance
7 Case studies
8 Powder diffraction 1
9 Powder diffraction 11
10 Solvent inclusion, twinning, disorders and others

Chemical Applications of Symmetry
Dr RJ Errington

1 Review of previous material on symmetry elements, symmetry operations and point groups. Introduction to character tables.
2-3 Irreducible and reducible representations. Symmetry analysis of stretching vibrations of small symmetric molecules; normal modes; IR and Raman activity; determination of molecular shape from vibrational spectra.
4-5 Symmetry properties of atomic orbitals and their combination to give molecular orbitals: • and • orbitals of small symmetric molecules; symmetry analysis of d-orbitals in transition metal complexes and the consequences for spectroscopy and other properties.

Mass Spectrometry
Dr H Kossen

1 Introduction and EI instrumentation
2 Fragmentations in EIMS
3.1 Further fragmentation and structure determination
3.2 ESI and LC-MS/GC-MS
4 Other 'soft' ionisation methods: CI, FAB, MALDI-TOF, MS-MS
5 Inorganic MS and ICP
6 IR and UV revision and combined study problems
7 Revision seminar

Laboratory Course
Course organiser: Dr H Kossen

1 The Cambridge Structural Database
2+3 Molecular Symmetry and Group Theory
4+10 X-Ray Diffraction
5+8 Organic NMR Problem Solving
6+9 Inorganic NMR Problem Solving
7 Mass Spectrometry and Isotope Patterns

Teaching Methods

Please note that module leaders are reviewing the module teaching and assessment methods for Semester 2 modules, in light of the Covid-19 restrictions. There may also be a few further changes to Semester 1 modules. Final information will be available by the end of August 2020 in for Semester 1 modules and the end of October 2020 for Semester 2 modules.

Teaching Activities
Category Activity Number Length Student Hours Comment
Structured Guided LearningLecture materials11:001:00Online Module intro. Familiarise yourself with the topics, and look through the recommended reading
Structured Guided LearningLecture materials1280:1532:00A combination of short recordings of lecture material and text published on VLE each week.
Guided Independent StudyAssessment preparation and completion510:0050:00Online via canvas, take home problems
Scheduled Learning And Teaching ActivitiesLecture193:0093:00Independent study
Scheduled Learning And Teaching ActivitiesWorkshops43:0012:00Online, small breakout groups to work through problems (previously in dry lab)
Scheduled Learning And Teaching ActivitiesWorkshops11:001:00Online session for peer marking of problems
Guided Independent StudyReflective learning activity200:155:00Online via canvas, quizzes
Scheduled Learning And Teaching ActivitiesDrop-in/surgery23:006:00Drop in Q&A for support with 2 online problems
Total200:00
Teaching Rationale And Relationship

This course covers the principal methods of structural determination used in modern chemistry.
The basis of the course is the online lectures, but these are strongly reinforced by the closely integrated practical work which gives the students valuable personal experience of the most important techniques and how they can be applied in real life situations. The practical also provide a means of continuous assessment, and the tutorials are especially aimed at giving more theoretical backup

Assessment Methods

Please note that module leaders are reviewing the module teaching and assessment methods for Semester 2 modules, in light of the Covid-19 restrictions. There may also be a few further changes to Semester 1 modules. Final information will be available by the end of August 2020 in for Semester 1 modules and the end of October 2020 for Semester 2 modules.

The format of resits will be determined by the Board of Examiners

Exam Pairings
Module Code Module Title Semester Comment
CHY8833Structural and Analytical Chemistry1N/A
Other Assessment
Description Semester When Set Percentage Comment
Prob solv exercises1M100Assessment will be of 5 take-home problems, set in week 8 and week 15
Assessment Rationale And Relationship

The dry-lab problem exercises will permit the student to practise and consolidate the lecture material and also allow the academic subject tutor to monitor progress towards the learning outcomes and also assess the student's knowledge and understanding of the basic principles of all areas of spectroscopy.

Students are required to obtain at least 35% in the laboratory component in order for the examination mark to be included in the final module mark. Students who score <35% in the laboratory will obtain a module mark based solely on the laboratory practical.

Study Abroad students may request to take their exam before the semester 1 exam period, in which case the format of the paper may differ from that shown in the MOF. Study Abroad students should contact the school to discuss this.

Reading Lists

Timetable