Chem 104A, UC, Berkeley Welcome To Chem 104A

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Welcome to Chem 104AInstructor:Chem 104A, UC, BerkeleyProfessor Peidong Yang239 Hild. HallTel: 643-1545E-Mail: p yang@berkeley.eduOffice Hours: Tue 1:00 – 3:00 pmTA:Kelsey Sakimoto; kelsey.sakimoto@berkeley.edu, 4-5 Wedn/Hild 320Dandan Zhang; zhangdandan@berkeley.edu, 4-5 Tuesday/Hild 320Fan Cui; cuifan@berkeley.edu, 5-6 Friday/Hild. 320Discussion Session: Location/Time: M 5:30-7:30 pm, 180 TANThe discussion section should provide a valuable additional resource for this course. Inthe discussion section, the GSIs will reemphasize and expand on material coveredduring lecture. They will also entertain questions and work through "example"problems.Chem 104A, UC, BerkeleyCourse 104a.htmlGoogle “ Chemistry 104A”1

Chem 104A, UC, BerkeleyChemistry 104AInorganic ChemistryAn introduction to inorganic chemistryTopics covered will include:Atomic structures, periodic trends,Symmetry and group theory,Molecular orbital theory, molecular structure,Inorganic solids & band theoryCompletion of a general chemistry sequence(chemistry 1B, 3A or 4B) is prerequisite.Chemistry 104AInorganic Chemistry: TextbookChem 104A, UC, BerkeleyMiessler, G. L., Tarr, D. A. Inorganic ChemistryDeKock and Gray, Chemical Structure and Bonding,2nd Ed., University Science Books, 1989Optional (recommended)Vincent, Molecular Symmetry and Group Theory,Wiley, 2001.Important: The course material, and certainly what you will be responsible for onthe exams, will be defined in lecture and based mainly on the class notes.Therefore, attendance in class is a key to success! The paperback book by Vincentis a valuable tool for learning about symmetry and group theory in chemistry. Inaddition, part of the course (in particular MO theory) will be based on material in thebook by DeKock and Gray.2

Chem 104A, UC, BerkeleyChem 104A, UC, BerkeleyChemistry 104AInorganic Chemistry: Reference Books Cotton, Wilkinson, and Gaus, Basic Inorganic Chemistry, Wiley, 1995 Cotton, Chemical Applications of Group Theory, Wiley, 1990 Douglas, McDaniel, and Alexander, Concepts and Models of Inorganic Chemistry, Wiley,1994 Huheey, Keiter, and Keiter, Inorganic Chemistry, 4th Ed. HaperCollins, 1993 Shriver, Atkins, and Langford, Inorganic Chemistry, W. H. Freeman, 1990 Porterfield, Inorganic Chemistry, Academic Press, 1993 Cotton and Wilkinson, Advanced Inorganic Chemistry, 5th Ed., Wiley, 1998 Greenwood and Earnshaw, Chemistry of the Elements, Butterworth Heineman, 19973

Chem 104A, UC, BerkeleyGrading:Problem sets (6)Exam 1 (Oct. 2nd , in class)Exam 2 (Oct 30th, in class)Final(Dec 16th)10%25%25%40%Chem 104A, UC, BerkeleyFinal GradesYour grade for this class will be determined exclusively by the four criteria listed above (exams,problem sets, and final exam). Under no circumstances will alternative grading schemes be used toassign a final grade. Note that all grades are final, and not open to negotiation after they have beendetermined.ExaminationsExams will cover material emphasized in the lectures, the required reading, and the problem sets.The midterms will be given in place of the regular lecture in class. No makeup exams will be given.Please mark these dates on your calendar immediately. If you have a legitimate reason (withdocumentation) to miss an exam, you may be excused from the exam and in this case your finalgrade will be based on your prorated other scores. If you know in advance of any reason that maycause you to miss any examination, you must see Prof. Yang immediately.Note: Dishonesty and cheating will not be tolerated. Evidence of cheating on an exam will result ina grade of zero for that exam, and further disciplinary action by the University.Regrade PolicyThe GSI's will hand back midterm exams after lecture periods and also in their office hours.Requests for regrades will only be considered if they are in the form of a written statement on asheet of paper attached to the original, unaltered exam. No requests will be considered if they arehanded in more than two weeks after the exam.4

Chem 104A, UC, BerkeleyProblem SetsYou are strongly encouraged to work through the problem sets, as this will test yourunderstanding of the course material, and exam questions may be similar to the materialcovered in the problem sets. Problem sets will be assigned during lecture, and the GSI'swill collect your answers at the end of the lecture the following week. They will grade twoof the problems in each set, chosen randomly, and your cumulative score on theseproblems will determine 10% of your final grade. Also, if you are on a grade border,regularly completed problem sets will be taken into account in determining whether ornot your grade should be higher.Course 104a.htmlAt this site, class notes and viewgraphs will also be posted. Please download theappropriate class notes and viewgraphs before coming to lecture.Chem 104A, UC, BerkeleyWhat is inorganic chemistry?Organic Chemistry:the chemistry of lifethe chemistry of hydrocarbon compoundsC, H, N, OInorganic Chemistry:Non-living chemistryChemistry of “everything else”Chemistry of the entire periodic table5

Chem 104A, UC, BerkeleyC N OTaxolChem 104A, UC, Berkeleythe drug that now has the generic name"paclitaxel", and the registered tradename"Taxol " (Bristol-Myers Squibb Company)The natural source, the Pacific yew tree, is an environmentally protectedspecies, which is also one of the slowest growing trees in the world.Isolation of the compound, which is contained in the bark, involveskilling the tree, and the quantities available by this method are pitifullysmall. It would take six 100-year old trees to provide enough taxol totreat just one patient.6

Chem 104A, UC, BerkeleyConstant “atomicity” (valence)Carbon: 4 bondsHydrogen: 1 bondNitrogen: 3 bondsOxygen: 2 bondsAugust Kekule (1829-1896, German)Organic molecules: successfulInorganic molecules: ?Chem 104A, UC, BerkeleyOrganicCompoundsInorganicCompoundsSingle Bond Double Bond Triple Bond Quadruple bond Coordination No.ConstantDiverseGeometryFixedDiverse7

Chem 104A, UC, BerkeleyChem 104A, UC, Berkeley8

Chem 104A, UC, BerkeleyChem 104A, UC, BerkeleyScience 4 November 2005:Vol. 310. no. 5749, pp. 844 - 847A Stable Compound withFivefold Bonding Between Two Chromium(I) Centers9

Chem 104A, UC, BerkeleyChem 104A, UC, BerkeleyTotal Synthesis of TaxolNeed catalysts!The Importance of Inorganic Chemistry10

Chem 104A, UC, BerkeleyOil Refining: Catalysts for converting crude oil to gasolineChevron Richmond Refinerymake transportation fuels, such asgasoline, jet fuel, and diesel fuelfrom crude oilcapacity of 245,000 barrels of crude oilper day.Chem 104A, UC, Berkeley11

Bioinorganic ChemistryChem 104A, UC, BerkeleyChem 104A, UC, BerkeleyHemoglobin12

Chem 104A, UC, BerkeleyPhotosynthesisChem 104A, UC, BerkeleySemiconductor Industry13

Chem 104A, UC, BerkeleyNanoscience & NanotechnologyChem 104A, UC, Berkeley14

Chem 104A, UC, BerkeleyBuckyballsHarold Kroto from the University of Sussex, Robert Curl andRichard Smalley from Rice University—were awarded the NobelPrize in Chemistry in 1996 for their discovery of a newcomposition of carbon, Carbon 60.Carbon-60 buckyball is shaped like asoccer ball.18Chem 104A, UC, BerkeleyCarbon nanotube, 1991, NEC's Fundamental Research Laboratories15

Chem 104A, UC, BerkeleyDiscovery of GrapheneAndre Geim and Konstantin NovoselovNobel prize in Physics, 2010Chem 104A, UC, BerkeleyQuantum Dots, Nanowires16

Chem 104A, UC, Berkeley Display technology Energy storageChem 104A, UC, BerkeleyCommon applications of inorganic chemistry Catalysts: aluminum oxides, zeolites, transition metals Semiconductors: Si, Ge, GaAs, InP Polymers: silicones, (SiR2)n, polyphosphazenes Superconductors: NbN, YBa2Cu3O7-x, Bi2Sr2CaCu2Oz Magnetic Materials: Fe, SmCo5, Nd2Fe14B Lubricants: graphite, MoS2 Nanostructured materials: nanoclusters, nanowires and nanotube Fertilizers: NH4NO3, (NH4)2SO4 Paints: TiO2, PbCrO4 Disinfectants/oxidants: Cl2, Br2, I2, MnO4 Water treatment: Ca(OH)2, Al2(SO4)3 Industrial processes: H2SO4, NaOH, CO2 Organic synthesis: reaction catalysts Biology: Vitamin B12, hemoglobin, Fe-S protein17

Chem 104A, UC, BerkeleyWhat you will be able to do after taking this course?Predicting IR spectra, chemical analysisChem 104A, UC, BerkeleyUnderstand Molecular OrbitalsUnderstand Chemical Reaction18

Chem 104A, UC, BerkeleyHydrogen Car/BusChem 104A, UC, BerkeleyA hydrogen bus system consists of non‐renewable H2sources, hydrogen compressor, hydrogentanks, and a bus propelled by electrical motors driven bya 60 kW hydrogen fuel cell stack and a 600V auxiliarybattery.Current source of hydrogen: reforming methane, a fossil fuelor electrolysis using grid‐electricity19

Chem 104A, UC, BerkeleyHydrogenHydrogen has one of the highest energydensity values per mass. Its energy density isbetween 120 and 142 MJ/kgChem 104A, UC, BerkeleyCommon Crystal Structures and Electronic Structure20

Chem 104A, UC, BerkeleyAtomic StructureReading: MT 1,2; DG 1MT: Miessler, G. L., Tarr, D. A. Inorganic Chemistry,DG: DeKock and Gray, Chemical Structure and Bonding, 2nd Ed.,University Science Books,Chem 104A, UC, BerkeleyRutherford BackscatteringThomson ModelRutherford Model21

Chem 104A, UC, Berkeley1913, Danish Physicist, Niels BohrElectrostatic Fe Outward Fomver2 e2r2Chem 104A, UC, BerkeleyTotal Energy:Emver2 e2r2 KE PEe212E me v ( )r21 e2 e2 ( ) r2 re2 2rE 0What would be lowest energy state?r 022

Chem 104A, UC, BerkeleyCome to the rescue .Energy Quantized (Planck Equation)E h FrequencyAngular Momentum of electron is quantized.mev.r nh/2 v nh2 me rh 6.62 10 34 J .svelocityVelocity of the electron quantizedChem 104A, UC, Berkeleymv2erv e2 2rnh2 me rn2h2 n 2 a0rn 224 me eor1 Bohr radius a0 0.529 Ae21me v 2 ( )r222e1 e ( ) r2 r2e 2rE e22 2 me e 4kEn 22 22rnnhnk 13.606 eV23

Chem 104A, UC, BerkeleyChem 104A, UC, Berkeley24

Chem 104A, UC, BerkeleyChem 104A, UC, Berkeley 11 )n2 m2wavenumber 1 / v RH (RH 109679cm 1LymanRydberg constant(n 1) v H 82259,97492,10824cm 125

Chem 104A, UC, BerkeleyChem 104A, UC, BerkeleyBalmer Series (n 2)26

Chem 104A, UC, BerkeleyBohr Model can NOT explain Zeeman effect.Chem 104A, UC, BerkeleyDual Nature of MatterReading: MT 2, DG 11924, French physicist Louis de Broglie:All matter possesses wave propertieshh mv ph 6.62 10 34 J .s27

Chem 104A, UC, BerkeleyBaseball: 200gSpeed: 3000cm/sec (67 miles/hour) 10 32 cmElectron:10 27 gSame velocity 20 mExperimental evidence: electron diffractionChem 104A, UC, BerkeleyInterference between two point waves28

Chem 104A, UC, BerkeleyChem 104A, UC, BerkeleyThe uncertainty principle1927, Werner HeisenbergIt is impossible to know simultaneously both themomentum and the position of a particle withcertainty.h( p x )( x) 4 h 6.62 10 34 J s29

Chem 104A, UC, BerkeleyAccuracy: one part per trillionBaseball: 200gSpeed: 3000 cm/sec (67 miles/hour)p 6 105 g cm sec 1 p 6 10 7 g cm sec 1 x 10 21 cm 27Electron: 10gSame velocityp 3 10 24 g cm sec 1 p 3 10 36 g cm sec 1 x 109 cmChem 104A, UC, BerkeleyElectron motion: wavefunction Describes spatial properties of electron.Must be: single valued, continuous, normalizedSchrodinger wave equation (1926): 2 2 2 2 ( 2 2 2 ) V E 8 m x y z : wavefunction / eigenfunctionh2x, y, z : coordinatesm : massh : Planck ' sE : total energyV : potential energy H E H: Hamiltonianoperator30

Chem 104A, UC, BerkeleyConverting to polar coordinates: n ,l ,m Rn ,l (r ) Yl ,m ( , )llRn ,l (r )Radial partYl ,ml ( , )Angular partChem 104A, UC, Berkeleyn 1,2,3,4 . principle quantum number(1): determine the energy of the electron(2): indicate approximately the effective volume of the orbital.e22 2 me e 4k En 2rnn2h2n2n 12331

Chem 104A, UC, Berkeleyl angular momentum (or shape) quantum number0,1,2,3,4 s, p, d, f .Determine general shape of the orbitalFor each n, there are n possible angular momentum valueChem 104A, UC, Berkeleyml magnetic/orbital orientation quantum number0, 1, 2, 3.Determine orbital spatial orientationFor each l, there are 2l 1 possiblemlvalue.32

Chem 104A, UC, Berkeleyf orbitals33

3 Chem 104A, UC, Berkeley Chem 104A, UC, Berkeley Chemistry 104A Inorganic Chemistry: Reference Books Cotton, Wilkinson, and Gaus, Basic Inorganic Chemistry, Wiley, 1995 Cotton, Chemical Applications of Group Theory, Wiley, 1990 Douglas, McDaniel, and Alexander, Concepts and Models of Inorganic Chemistry, Wiley, 1994

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