Inorganic Chemistry B
A.Y. 2019/2020
Learning objectives
The aim of the course is acquiring a good knowledge of the most important methods of simulation based on classical mechanics that can be applied to biosystems (proteins, peptides, nucleic acids...)
Expected learning outcomes
Attending the course the student will learn the principal methods for simulating biomolecules, in particular molecular dynamics. The student will also become familiar with free energy calculation methods and techniques.
Lesson period: Second semester
Assessment methods: Esame
Assessment result: voto verbalizzato in trentesimi
Single course
This course cannot be attended as a single course. Please check our list of single courses to find the ones available for enrolment.
Course syllabus and organization
Single session
Responsible
Course syllabus
LESSONS: Electron count in complexes. Principles of orbital interactions. Metal and ligand orbitals. Principal ligand field: sigma interactions (octahedral, square-planar, square-based pyramidal, tetrahedral, trigonal-bipyramidal, trigonal-planar and linear geometries). Pi-type interactions (pi-donor and pi-acceptor ligands, pi-complexes). Applications (conformational problems, agostic interactions, carbene complexes, metal-metal bonds, reductive elimination reactions, isolobal analogy).
LABORATORY: Practical verification of the models described in the course by carrying out the exercises of the textbook using an Extended Hückel (EHT) semi-empirical calculation program.
LABORATORY: Practical verification of the models described in the course by carrying out the exercises of the textbook using an Extended Hückel (EHT) semi-empirical calculation program.
Prerequisites for admission
Basic knowledge of the chemistry of coordination compounds.
Teaching methods
Lecture-style lessons and computational laboratory.
Teaching Resources
Yves Jean "Molecular orbitals of transition metal complexes" Oxford University Press, 2005.
Assessment methods and Criteria
Oral exam on all the topics covered in the course starting from a topic chosen by the student. It also involves the evaluation of a report on the laboratory exercises assigned by the teacher.
CHIM/03 - GENERAL AND INORGANIC CHEMISTRY - University credits: 9
Practicals: 16 hours
Laboratories: 32 hours
Lessons: 48 hours
Laboratories: 32 hours
Lessons: 48 hours
Professors:
Mercandelli Pierluigi, Proserpio Davide Maria
Shifts:
Professor(s)
Reception:
By appointment by e-mail
Dipartimento di Chimica – Corpo A – Piano rialzato – Stanza R36
Reception:
Monday 14.00-16.00 after e-mail appointment
My office, first floor, Building A, room 1042