Core Chemistry 4 (Distance Learning)

CHEM31312 Core Chemistry 4 (Distance Learning) 10 Semester 2 Undergraduate Level 3 Cristina Trujillo del Valle Unit coordinator 1 FHEQ level (Framework for Higher Education Qualifications) ' Last part of a Bachelors ' European Credit Transfer & Accumulation System Rating : 5.0 <div><div>This course unit detail provides the framework for delivery in 22/23 and may be subject to change due to any additional Covid-19 impact.X-ray diffraction and crystallography (Dr. Michael Baker, 7 lectures and 2 workshops):<ul> <li>Crystallography</li> <li>Theory and application of single-crystal X-ray diffraction;</li> <li>Powder X-ray diffraction.</li></ul>Structure and Properties of Inorganic Extended Crystalline Solids (Dr Martin Attfield, 7 lectures and 2 workshops):<ul> <li>Crystal structures, their descriptions and common inorganic extended crystalline solids;</li> <li>Influence of bonding type and non-bonding electrons on the structures and properties of inorganic solids;</li> <li>Metallic bonding, band theory and electronic conduction in inorganic crystalline solids;</li> <li>Defects, non-stoichiometry and ionic conduction in inorganic crystalline solids;</li> <li>Simultaneous electronic and ionic conduction in the same inorganic crystalline solid.</li></ul>Surfaces, Interfaces and Catalysis (Prof. Andrew Horn, 7 lectures and 2 workshops)<ul> <li>Basic structure and properties of solid surfaces (surface structures for elements and compounds, surface coordination numbers, adsorbates, surface reconstructions);</li> <li>Surface reactivity (electronic structure of surfaces, bonding to surfaces, physisorption and chemisorption, mechanisms of surface reactions, thermodynamics at surfaces);</li> <li>Surface kinetics (rates of adsorption and desorption, equilibrium coverage, simple isotherms, competing reactions);</li> <li>Liquid surfaces (surface tension, adsorption & surface activity, Gibbs adsorption isotherm & surface pressure, surfactants and micelles);</li> <li>Heterogenous catalysis (catalytic mechanisms, examples of specific reactions, interpretation in terms of basic principles);</li> <li>Introductory surface analysis (available methods, measurement of surface structure, determination of elemental composition and identification of important adsorbed species).</li></ul></div> </div>   <div>X-ray diffraction and crystallography:i. Diffraction and how crystallography takes advantage of the principle of diffraction.ii. The crystal, the unit cell and the 14 different Bravais lattices.iii. Identifying the symmetry of a unit cell from its metric parameters.iv. The Bragg equation and how its components relate to X-ray diffraction from a crystal.v. The relationship between crystallographic planes, Miller indices and the reciprocal lattice.vi. The asymmetric unit and how it relates to the structure of a crystal.vii. Identify which systematic absences relate to which symmetry operations and determine the space group of a unit cell from its systematic absences.viii. Atomic scattering factors and how the intensity of a reflection and its phase relates to atomic positions within a unit cell.ix. How to overcome the phase problem in solving crystal structures and the principles of crystal structure refinement.Structure and Properties of Inorganic Extended Crystalline Solids(i) Description of crystal structures of inorganic crystalline extended solid compounds in terms of unit cells, close packing of spheres and space-filling polyhedral;(ii) Understand the structure of metals & simple inorganic compounds including NaCl, TiO2, CdCl2, CaF2, ZnS, CsCl, spinels and perovskites;(iii) Counting the number of atoms in a unit cell;(iv) Structural characteristics of ionically, covalently or partially covalent bound inorganic crystalline extended solids and structure prediction;(v) Use of ionic radii to predict structures and determine the lattice energy of ionic compounds;(vi) Effect of d and lower period s electrons on ionic radii, interstitial site preferences and structure of inorganic crystalline extended solids;(vii) Chemical approach to bands and electronic conductivity in elemental and inorganic solids;(viii) Differentiation of metals, intrinsic & extrinsic n-/ p- type semiconductors and insulators in terms of electronic conductivity, band structure and the effect of temperature on electronic conductivity;(ix) Band structure of transition metal compounds and understanding why transition metal compounds exhibit metallic or non-metallic electronic conduction properties;(x) Point defects and their formation;(xi) Defects that can be introduced into inorganic crystalline extended solids through use of extrinsic doping or by the exhibition of variable valency by one of the elements in the parent compound;(xii) Ionic conductivity in inorganic crystalline extended solids and it’s connection to the point defects in the solid;(xiii) Temperature, compositional and structure dependency of ionic conduction in inorganic crystalline extended solids and solid electrolytes;(xiv) Intercalation cathodes in Li-based rechargeable batteries including how they behave as intercalation hosts, non-stoichiometric variable valency compounds, electronic and ionic conductors during the processes of battery discharging and recharging.Surfaces, Interfaces and CatalysisSurface physical structure: the use of Miller indices to index the surface planes of solids; deriving and using unit mesh vectors; adsorbates on surfaces; surface reconstructions; adsorbate-induced reconstructions; low-energy electron diffraction by surfaces.Surface reactivity of solids: band structure; energy levels in reciprocal space; the effects of periodic lattice: the Brillouin zone; electronic adsorption interactions.Kinetics and thermodynamics of adsorption on solid surfaces: using the PES to describe adsorption; surface diffusion; kinetics of adsorption on a surface: derivation of the Langmuir isotherm; multilayer adsorption and the BET isotherm; measuring the enthalpy of adsorption; surface chemical reaction mechanisms and kinetics; basic thermodynamics of surface reactions.Liquid surfaces and surfactants: gas-liquid and liquid-liquid interfaces; surface tension; the origin of surface activity; adsorption at liquid surfaces – surface excess and surface pressure; the Gibbs-Duhem equation and Gibbs adsorption isotherm; ionised solutes; isotherms for surfactants at liquid interfaces; the critical micellar concentration; formation and structure of micelles.Heterogeneous catalysis: basic guiding principles; homogeneous versus heterogeneous catalysis; catalysts for specific purposes: the transformation of organic chemicals on surfaces, Fischer-Tropsch processes, organic transformations and ammonia synthesis via the Haber-Bosch process.Introduction to surface analysis: electron-based techniques; molecular spectroscopy; secondary ion mass spectrometry (SIMS); surface probe microscopy (SPM)</div>  <div> The unit aims to: <ul> <li> describe the theory and techniques that have made the diffraction of X-rays by crystalline materials, one of the most powerful tools available to chemists;</li> <li> introduce some of the vast array of structures of inorganic extended crystalline solids and to illustrate how the structure of the solid is related to the bonding and chemical composition within the solid, and its properties are related to the structure, bonding and chemical composition.</li> <li> provide a detailed understanding of surface chemistry and to develop an appreciation of the importance of surface chemistry in a range of applications.</li> </ul></div>  On successful completion of the course students should be able to: <ul> <li> Describe the range of chemical information available from diffraction-based techniques.</li> <li> Explain the basis of powder diffraction and index a powder diffraction pattern to extract lattice parameters.</li> <li> Derive the Bragg equation and show how its components relate to X-ray diffraction from a crystal.</li> <li> Determine the Miller indices for a given set of crystallographic planes and the d-spacing of those planes based on the unit cell parameters.</li> <li> Describe the concept of the asymmetric unit and explain how it relates to the structure of a crystal.</li> <li> Describe atomic scattering factors and how the intensity of a reflection and its phase relates to atomic positions within a unit cell.</li> <li> Apply the principles of crystal structure refinement to solve simple diffraction problems.</li> <li> Describe crystal structures of solids using crystallographic terms and concepts such as close packing of spheres and space-filling polyhedral.</li> <li> Rationalise the structural and thermodynamic properties of inorganic extended crystalline solids based on bonding, atom/ion sizes and non-bonding electrons.</li> <li> Rationalise the electronic conductivity of inorganic extended-crystalline-solids based on the magnitude and thermal behaviour of conductivity, the band structure and the chemical composition of the compound.</li> <li> Explain the ionic conductivity of an inorganic extended-crystalline-solid based on the structure of the compound, its chemical composition, and the type and number of the point defects in the solid.</li> <li> Describe the physical and electronic structure of the solid surfaces of elements and simple compounds and use this to explain chemical bonding of atoms and molecules to surfaces;</li> <li> Evaluate the rates and mechanisms of key surface processes in terms of component thermodynamic and kinetic aspects;</li> <li> Describe the physical structure of liquid surfaces and the origins of surface tension, surface excess, surface pressure and surface activity;</li> <li> Use the Gibbs-Duhem equation and the Gibbs adsorption isotherm to rationalise the behavior of surfactants and to explain the formation and stability of micelles;</li> <li> Outline key heterogeneous catalytic schemes and deconstruct them into component surface- and gas-phase chemical processes;</li> <li> Select from a range of modern surface analytical techniques to determine surface structure, composition and adsorption processes.</li></ul> <div> Concept assimilation; problem-solving skills; analytical skills; time management and organizational skills; numeracy, mathematical and computational skills; investigative skills.</div>  This distance learning version of CHEM30312 is supported by online material which students are invited to work through at their own pace. 1 Written exam 100% Podcasts of workshops (MPA 5, MB 5, AH 5)E-Learning (on-line formative quizzes)Office hours (weekly during course)Pre-examination revision sessionsPost-examination feedback (able to view marked examination scripts) CHEM10101 Introductory Chemistry Pre-Requisite Compulsory CHEM10212 Energy and Change Pre-Requisite Compulsory CHEM10312 Coordination Chemistry Pre-Requisite Compulsory CHEM20312 Inorganic Chemistry Pre-Requisite Compulsory CHEM20611 Integrated Spectroscopy and Separations Pre-Requisite Compulsory CHEM20212 Core Physical Chemistry Pre-Requisite Compulsory N <ul> <li> P. Atkins and J. dePaula, Atkins' Physical Chemistry, 7th Edition, 2002</li> <li> J. Pickworth Glusker, K.N. Trueblood, Crystal Structure Analysis, 2nd Edition, 1985</li> <li> W. Clegg, Crystal Structure Determination, 1998</li> <li> A. R. West, Basic Solid State Chemistry, 1999</li> <li> L. Smart and E. Moore, Solid State Chemistry An Introduction, 1995</li> <li> H. C. Zhou, J. R. Long, and O. M. Yaghi, Chem. Rev., 2012, issue 2.</li> <li> H.C. Zhou and S. Kitagawa, Chem. Soc. Rev. 2014, issue 43.</li></ul> Assessment written exam 2 Lectures 20 Practical classes & workshops 10 0 68