320F_Chapter 4_Jan 13.pptx
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This document discusses several theories for describing the electronic structure of coordination complexes, including Crystal Field Theory (CFT), Ligand Field Theory (LFT), and Molecular Orbital Theory (MOT). It covers topics like ligand field splitting, magnetic properties, Jahn-Teller effect, hybridization, and the 18 electron rule. CFT was developed in 1929 to describe the effects of ligands on transition metal complexes. LFT further improved upon CFT by considering the interactions in terms of metal-ligand bonding.
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Crystal field theory was proposed in the 1950s to describe the bonding in ionic crystals and metal complexes. It uses an electrostatic model to explain how ligands interact with the d-orbitals of a central metal ion. This interaction splits the degeneracy of the d-orbitals into lower-energy orbitals (t2g) and higher-energy orbitals (eg). The crystal field splitting energy is determined by factors like the ligand type, metal oxidation state, and complex geometry. Crystal field theory can be used to determine properties of complexes such as color, magnetism, and spinel structures. It provides explanations for phenomena like Jahn-Teller distortions but has limitations and cannot fully describe covalent bonding.
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This document discusses crystal field theory (CFT), which interprets the chemistry of coordination compounds. Some key points:
1. CFT was proposed by Hans Bethe in 1929 and modified by J.H. Van Vleck in 1935 to allow for some covalency. It assumes electrostatic interactions between metal ions and ligands.
2. In an octahedral crystal field, the d-orbitals split into two sets - the lower energy t2g orbitals and higher energy eg orbitals. The splitting is called the crystal field splitting parameter Δo.
3. The color of coordination compounds depends on the size of this splitting, as the energy difference corresponds to the absorption of photons.
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Crystal field theory was proposed in the 1950s to describe the bonding in ionic crystals and metal complexes. It uses an electrostatic model to explain how ligands interact with the d-orbitals of a central metal ion. This interaction splits the degeneracy of the d-orbitals into lower-energy orbitals (t2g) and higher-energy orbitals (eg). The crystal field splitting energy is determined by factors like the ligand type, metal oxidation state, and complex geometry. Crystal field theory can be used to determine properties of complexes such as color, magnetism, and spinel structures. It provides explanations for phenomena like Jahn-Teller distortions but has limitations and cannot fully describe covalent bonding.
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pptproject-221215072800-948bbf3hjdn7.pdf
Colour centres are point defects or defect clusters in crystal lattices that cause the material to change color. They occur when electrons or holes become trapped at defect sites. Common examples are the F-centre in alkali halides, which forms when an electron is trapped at a halide ion vacancy, and the H-centre and V-centre in alkali halides, which involve trapped holes. Defect clusters can also form through the interaction of simple point defects like vacancies and interstitials. Colour centres play an important role in determining the optical and electronic properties of solids like alkali halide crystals and wustite.
202004156776434777433688633485334684357744578321651466499567c2a.pdf
This document discusses the Cotton effect, Faraday effect, and Kerr effect.
The Cotton effect describes how the shape of optical rotatory dispersion (ORD) curves inside an absorption region differs from outside the region, appearing S-shaped. This combination of circular dichroism and anomalous ORD curve shape within absorption is known as the Cotton effect. Cotton effects can be positive or negative depending on the direction of optical rotation change.
The Faraday effect describes how a magnetic field causes rotation of the plane of polarization in a medium, proportional to the magnetic field strength and path length.
The Kerr effect describes how an electric field induces birefringence in a material, causing different refractive indices for light polarized parallel or perpendicular to
pptpartitionfunction-230418095416-cd43828a.pdf
1) The document discusses molecular partition functions, which represent the sum of probability factors for how the energy of an assembly of molecules is partitioned among different energy levels.
2) It provides equations for calculating translational, rotational, and vibrational partition functions for diatomic molecules based on principles of quantum mechanics and by modeling molecular motion as simple harmonic oscillators.
3) The key factors that determine each type of partition function are discussed, such as temperature, molecular mass, moment of inertia, and vibrational frequency.
Chapter 5 - Pesticides.pdf
This document provides definitions and information about pesticides. It begins with defining pesticides as substances intended to prevent, destroy or mitigate pests. It then discusses the history of pesticide use dating back to ancient civilizations, and provides examples of early pest control methods. The document categorizes common types of pesticides and discusses their classification, including organochlorines, organophosphates, carbamates, and pyrethroids. It also covers toxicity measures such as LD50, LC50 and MLD values.
Chapter 7 - Waste Treatment.pdf
The document discusses different types of waste including solid, liquid, and gaseous wastes. It describes various sources of waste such as municipal, industrial, agricultural, commercial, and how they can be categorized as biodegradable, non-biodegradable, or hazardous. Methods of waste treatment discussed include sanitary landfills, composting, incineration, physical and recycling methods.
Chapter 8 - Green Chemistry.pdf
Green chemistry is an approach to chemistry that focuses on reducing or eliminating the use or generation of hazardous substances. It has 12 principles for designing chemical products and processes, such as preventing waste, using renewable starting materials, designing safer chemicals, and using catalytic reactions that minimize waste. The overall goals are to reduce pollution and the consumption of non-renewable resources while still achieving the desired product functions.
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Homotopic hydrogens have identical chemical environments and the same chemical shift, while heterotopic atoms have different chemical shifts. Signal splitting is not observed for homotopic or enantiotopic protons. For nuclei to be magnetically equivalent, they must have identical chemical shifts and equal coupling to all other nuclei, with identical magnetic environments and coupling interactions.
Chapter 6 - Metal Clusters.pdf
The document summarizes research on the activation of saccharin and thiosaccharin ligands at polynuclear osmium and ruthenium metal clusters. Key findings include:
1) Saccharin forms a bridging complex with a triosmium cluster through oxidative addition of its N-H bond.
2) Thiosaccharin forms both sulfur-bridged and nitrogen/sulfur-bridged complexes with a triosmium cluster.
3) The complexes undergo phosphine substitution reactions to install phosphine ligands on the metal centers.
Organometallic Chemistry (Part 1).pdf
Metal cluster compounds contain three or more metals arranged in a closed structure with significant interactions between the metals. They can exist as molecular ions or neutral compounds. These compounds feature metal atoms clustered together in arrays where the metals strongly interact with one another.
Lecture_4_22_02_21.pdf
This document discusses factors that affect enzyme activity, including temperature, pH, and inhibition. It notes that most enzymes become inactive above 70°C and function best around a neutral pH of 6-8. The document also categorizes enzyme inhibition into three types: reversible inhibition, which can be undone by removing the inhibitor; irreversible inhibition; and allosteric inhibition, where the inhibitor binds at a site other than the active site. Reversible inhibition is further divided into competitive inhibition, where the inhibitor competes with the substrate for binding, and non-competitive inhibition, where the inhibitor binds independently of the substrate.
Lecture 3 - 15_02_21.pdf
Enzyme kinetics determines reaction rates and how they change with experimental parameters. It involves an enzyme reversibly binding to a substrate to form an enzyme-substrate complex, which then breaks down to yield products. The initial rate (V0) depends on the breakdown of this complex. The Michaelis-Menten equation describes this rate as dependent on substrate concentration and the Michaelis constant (Km), which represents the substrate concentration when the rate is half its maximum. A Lineweaver-Burk plot allows more accurate determination of the maximum rate (Vmax) from a double-reciprocal plot of rate versus substrate concentration.
Lecture No.1 - 01_02_21.pdf
This document provides an overview of the topics that will be covered in the Biochemistry course Chem. 433H. The course will focus on biochemical aspects of enzymes, digestion, metabolism of carbohydrates, lipids and proteins, vitamins, and hormones. Specific topics that will be covered include enzymatic kinetics and regulation, digestive processes, glycolysis and the TCA cycle, beta oxidation of fatty acids, amino acid metabolism and the urea cycle, and the structure and function of insulin, thyroxine, and glucocorticoids. Readings from three biochemistry textbooks are suggested.
Lecture _07_08_03_21.pdf
Certain enzymes, called regulatory enzymes, have a greater effect on the overall rate of metabolic pathways than other enzymes. Regulatory enzymes can exhibit increased or decreased catalytic activity in response to signals like the binding of specific modulators, substrates, or other metabolites at regulatory sites, which results in allosteric regulation of the enzyme's activity. Feedback inhibition also regulates pathways by inhibiting the first enzyme through the binding of the pathway's end product.
Chapter 6 - Stereochemistry of Fused and Bridged Ring System.pdf
This document discusses stereochemistry of fused and bridged ring systems. It defines bicyclic compounds as compounds with two rings that share two or more atoms, and spirocyclic compounds as those with two rings sharing a single atom. Bicyclic compounds can be fused, where the bridgehead carbons are adjacent, or bridged, where they are not adjacent. The stability and properties of compounds depend on whether the ring fusion is cis or trans. Bridged systems exhibit exo-endo isomerism depending on substituent position. The smallest stable bridged system is bicyclo[2.2.1]heptane. The Bredt rule states that double bonds cannot form on bridgehead carbons if it creates
Ephedrine and Morphine.pdf
This document discusses the structural elucidation and stereochemistry of ephedrine and morphine. It provides background on the history and traditional uses of ephedrine. The chemistry, extraction process, and mechanism of action of ephedrine are described. The structural elucidation of ephedrine is explained through determination of molecular formula, identification of functional groups, and degradation studies. Similarly, the structural elucidation of morphine is summarized through identification of molecular formula, detection of unsaturation, identification of functional groups, and degradation studies to reveal the phenanthrene ring structure.
Chemoselectivity and Regioselectivity.pdf
The document discusses various types of selectivity in organic reactions including:
- Stereo selectivity which controls the stereochemistry of products
- Regioselectivity which controls the site of reaction
- Chemoselectivity which controls reaction of one functional group in the presence of others
Examples and explanations are provided for each type of selectivity with mechanisms and factors that influence the outcome. Guidelines for solving problems of chemoselectivity involving protecting groups and derivatives that can react only once are also outlined.
Order of Reaction.pdf
This document discusses kinetics and reaction order. It defines zero, first, and second order reactions based on which concentration terms determine the reaction rate. Zero order reactions do not depend on reactant concentration. First order reactions depend on one concentration term, and second order reactions depend on two concentration terms. The document provides rate equations and methods for determining reaction order, including graphical methods of plotting concentration vs. time data.
Chapter 7 - Phase Diagram.pdf
This document is a series of lines written by Galib93 with varying numbers of repetitive elements. It does not contain any other identifiable information, context or meaning beyond displaying the author's name in repetition.
Band Theory of Solids.pdf
Band theory explains why some solids are conductors and others are insulators based on their electronic band structure. In solids, electrons exist in energy bands separated by forbidden gaps. Metals have partially filled bands, allowing electrons to move freely. Insulators and semiconductors have filled valence bands separated from empty conduction bands by large and small band gaps, respectively. At higher temperatures, a small fraction of electrons in semiconductors are excited into the conduction band, enabling some current flow. Holes represent empty states in the valence band and act as positively charged carriers that contribute to current.
Chapter 2 - Pharmacology.pdf
This document provides an overview of pharmacology and mechanisms of drug action. It defines pharmacology as the study of drug interaction with living organisms. Key points include: drugs can come from natural, animal, mineral or laboratory sources; various routes of administration depend on factors like physical properties and site of action; pharmacodynamics examines how drugs affect the body by interacting with receptors, ion channels, enzymes or through chemical reactions; and pharmacogenetics considers genetic differences in metabolic pathways that influence drug responses.
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320F_Chapter 4_Jan 13.pptx
- 1. Advance treatment: Crystal Field Theory (CFT) Ligand Field Theory (LFT) for octahedral and tetrahedral complexes Tetragonally distorted octahedral complex and square planar complexes Molecular orbital Theory (MOT) Metal-ligand - and - bonding CFSE Consequences of ligand field splitting>>>> Magnetic properties, electronic properties Electrochemical series Structural and thermodynamic effects of ligand field splitting Jahn-Teller theorem/effect Chapter topics:
- 2. Limitations of VBT led to CFT Implications of VBT: *Hybridization *EAN *18 electron rule 1916 Linus Pauling published in 1931 his landmark paper on valence bond theory
- 3. The crystal field theory (CFT) was developed for crystalline solids by the physicist Hans Bethe in 1929.
- 6. Combination of dz 2 -x 2 and d z 2 -y 2
- 17. Example of d-d transition
- 19. Color complementarity in T. metal aqueous solutions
- 21. Weak Field/ Strong field ligand>>>> Spectrochemical series
- 22. Mag mom start to change from here For strong and weak field ligands , Mag mom differs significantly
- 23. The eg orbitals point directly at . the ligands. Thus asymmetric filling of the eg orbitals results in some ligands being repelled more than others. This causes a -significant distortion of the octahedral shape. In contrast the t2gorbitals do point directly at the ligands, but point in between the ligand directions. Thus asymmetric filling of the t2g orbitals has only a very small effect the stereochemistry. Distortion caused by asymmetric filling of the t2g orbitals is usually too small to measure. The electronic arrangements which will produce a large distortion are shown in Table 7.15.
- 26. Due to strong ligand electron repulsion eg orbital degeneracy breaks