Audio and video podcasts from undergraduate lecture courses given in the Chemistry Department. The audio materials are annotated as "enhanced" Podcasts with full lecture notes, handouts, and linked to rotatable/and or animated 3D models (of molecules, their vibrations, and their molecular orbital…
Henry Rzepa (Editor) + other members of the chemistry department
Two case studies involving the principles of stereochemical design
Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.
Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, concerted vs Wheland intermediates. The Diels Alder reaction in a cavity.
The analysis of wave functions, including molecular orbitals, electrostatic potentials, QTAIM critical points, and the NCI method.
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.
The mechanics force field, how it is used to optimize molecular geometries, and a case study.
The techniques of molecular visualisation, and the sources of coordinates.
Conformational analysis of 3,4,5 and 6-membered rings.
General aspects of molecular modelling, including scales, coordinates, properties and reactivity.
The conformational preferences of alikeness, aldehydes, ketones, esters and amides.
The factors responsible for the conformation of alkanes and heterosubstituted alkanes.
Historical background to conformational analysis, and Barton's contributions. The stereo electronic theory of conformational analysis.
Hiostorical preamble, characteristic properties and examples of the major types of pericyclic reactions
Examples of sigma tropic reactions, illustrating the equivalence between inversion and antarafacial modes.
Examples of pericyclic additions and eliminations, with two joined up case studies.
A number of examples of electrocyclic pericyclic reactions.
The theory of orbital symmetry, with selection rules derived from transition state aromaticity
Cyclo-octane, trans cyclo-octene, how to resolve it into configurational isomers, and atropisomerism in caryophyllene. Restricted rotation in biphenyls.
Conformational analysis of rings, and sugars.
Analysis of cyclopropane, cyclobutane, cyclopentane and cyclohexane, including ring-locking with large groups and anti-periplanar relationships of substituents.
Conformational analysis of alkyl substituted alkenes, aldehydes, ketones, esters and amides.
The conformations of alkanes, including butane, from the perspective of the three controlling influences in conformations.
The relevance of conformational analysis, definitions and introduction to the theory.
Case study 8, enol borinates in sterespecific C-C bond formation. The asymmetric Strecker reaction.
Case study 2 revisited: NBO orbitals. Case study 1 revisited: why DNA has the helicity it has
Case study 6, aromatic electrophilic chemistry, Quantum topology
Relative stability of carbonium ions, the dimerisation of the Pirkle reagent, the Diels-alder reaction inside a cavity, molecular tennis balls
Introduction to molecular mechanics, force fields, and geometry optimisation
Introduction to molecular modelling
Examples of sigmatropic rearrangements, including [1,5] hydrogen shifts and [3,3] Cope.
Examples of cycloaddition reations, with two synoptic reactions illustrating both electrocyclic and cycloaddition reactions
A succinct summary of the pericyclic selection rules and examples of electrocyclic reactions
The orbital correlation diagram for cyclobutene/butadiene, and aromaticity.
Historical background, definition and set of categories
An exploration of chemical searching in three dimensions.
Properties searches using Reaxys (Beilstein) and spectral searches. 2D Structure searches using ChemSpider.
A demonstration of the use of Office 2007/EndNote X4 and Mendeley. Use of Web-of-Science for bibliographic searches.
Managing your computer desktop, accessing course notes and citing scientific journals
An overview of information sources for chemists at Imperial College, 2010-2011
The phenomenon of atropisomeris, and restricted rotation in biphenyls
The conformation of cyclohexane and substituted cyclohexanes, including conformational locking. Trans-decalines, and anti-periplanar relationships, leading to steroids
The conformation of amides, cyclopropane, cyclubutanes, cyclopentanes and cyclohexanes.
The Gauche effect and its origins, dealing with heterosubstituted alkanes, alkenes, aldehydes, ketones and esters
A lecture covering the early history of and definitions in coformational analysis and introduction of the basic theoretical underpinnings of the topic.
Two case studies in modelling stereochemistry
Examples of sigmatropic rearrangements
The conversation of orbital symmetry and the aromaticity of pericyclic transition states
Mpolecular mechanics. The basic equations and case studies.
Introduction to pericyclic reactions, with examples of four principle categories, electrocyclic, cycloaddition, sigmatropic and end.
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