Notes 2.2: Quantum Mechanical Model of the Atom October 24, 2014
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Atomic Orbitals
Visualization of Atomic Orbitals Source: Robert R. Gotwals, Jr., Department of Chemistry, North Carolina School of Science and Mathematics, Durham, NC, 27705. Email: [email protected]. Copyright ©2007, all rights reserved, permission to use for non-commercial educational purposes is granted. Introductory Readings Where are the electrons in an atom? There are a number of Models - a description of models that look to describe the location and behavior of some physical object or electrons in atoms. It is important to know this information, as behavior in nature. Models it helps chemists to make statements and predictions about are often mathematical, describing the behavior of how atoms will react with other atoms to form molecules. The some event. model one chooses will oftentimes influence the types of statements one can make about the behavior – that is, the reactivity – of an atom or group of atoms. Bohr model - states that no One model, the Bohr model, describes electrons as small two electrons in an atom can billiard balls, rotating around the positively charged nucleus, have the same set of four much in the way that planets quantum numbers. orbit around the Sun. The placement and motion of electrons are found in fixed and quantifiable levels called orbits, Orbits- where electrons are or, in older terminology, shells. believed to be located in the There are specific numbers of Bohr model. Orbits have a electrons that can be found in fixed amount of energy, and are identified with the each orbit – 2 for the first orbit, principle quantum number 8 for the second, and so forth. -
Schrödinger Equation)
Lecture 37 (Schrödinger Equation) Physics 2310-01 Spring 2020 Douglas Fields Reduced Mass • OK, so the Bohr model of the atom gives energy levels: • But, this has one problem – it was developed assuming the acceleration of the electron was given as an object revolving around a fixed point. • In fact, the proton is also free to move. • The acceleration of the electron must then take this into account. • Since we know from Newton’s third law that: • If we want to relate the real acceleration of the electron to the force on the electron, we have to take into account the motion of the proton too. Reduced Mass • So, the relative acceleration of the electron to the proton is just: • Then, the force relation becomes: • And the energy levels become: Reduced Mass • The reduced mass is close to the electron mass, but the 0.0054% difference is measurable in hydrogen and important in the energy levels of muonium (a hydrogen atom with a muon instead of an electron) since the muon mass is 200 times heavier than the electron. • Or, in general: Hydrogen-like atoms • For single electron atoms with more than one proton in the nucleus, we can use the Bohr energy levels with a minor change: e4 → Z2e4. • For instance, for He+ , Uncertainty Revisited • Let’s go back to the wave function for a travelling plane wave: • Notice that we derived an uncertainty relationship between k and x that ended being an uncertainty relation between p and x (since p=ћk): Uncertainty Revisited • Well it turns out that the same relation holds for ω and t, and therefore for E and t: • We see this playing an important role in the lifetime of excited states. -
Modern Physics: Problem Set #5
Physics 320 Fall (12) 2017 Modern Physics: Problem Set #5 The Bohr Model ("This is all nonsense", von Laue on Bohr's model; "It is one of the greatest discoveries", Einstein on the same). 2 4 mek e 1 ⎛ 1 ⎞ hc L = mvr = n! ; E n = – 2 2 ≈ –13.6eV⎜ 2 ⎟ ; λn →m = 2! n ⎝ n ⎠ | E m – E n | Notes: Exam 1 is next Friday (9/29). This exam will cover material in chapters 2 through 4. The exam€ is closed book, closed notes but you may bring in one-half of an 8.5x11" sheet of paper with handwritten notes€ and equations. € Due: Friday Sept. 29 by 6 pm Reading assignment: for Monday, 5.1-5.4 (Wave function for matter & 1D-Schrodinger equation) for Wednesday, 5.5, 5.8 (Particle in a box & Expectation values) Problem assignment: Chapter 4 Problems: 54. Bohr model for hydrogen spectrum (identify the region of the spectrum for each λ) 57. Electron speed in the Bohr model for hydrogen [Result: ke 2 /n!] A1. Rotational Spectra: The figure shows a diatomic molecule with bond- length d rotating about its center of mass. According to quantum theory, the d m ! ! ! € angular momentum ( ) of this system is restricted to a discrete set L = r × p m of values (including zero). Using the Bohr quantization condition (L=n!), determine the following: a) The allowed€ rotational energies of the molecule. [Result: n 2!2 /md 2 ] b) The wavelength of the photon needed to excite the molecule from the n to the n+1 rotational state. -
Bohr Model of Hydrogen
Chapter 3 Bohr model of hydrogen Figure 3.1: Democritus The atomic theory of matter has a long history, in some ways all the way back to the ancient Greeks (Democritus - ca. 400 BCE - suggested that all things are composed of indivisible \atoms"). From what we can observe, atoms have certain properties and behaviors, which can be summarized as follows: Atoms are small, with diameters on the order of 0:1 nm. Atoms are stable, they do not spontaneously break apart into smaller pieces or collapse. Atoms contain negatively charged electrons, but are electrically neutral. Atoms emit and absorb electromagnetic radiation. Any successful model of atoms must be capable of describing these observed properties. 1 (a) Isaac Newton (b) Joseph von Fraunhofer (c) Gustav Robert Kirch- hoff 3.1 Atomic spectra Even though the spectral nature of light is present in a rainbow, it was not until 1666 that Isaac Newton showed that white light from the sun is com- posed of a continuum of colors (frequencies). Newton introduced the term \spectrum" to describe this phenomenon. His method to measure the spec- trum of light consisted of a small aperture to define a point source of light, a lens to collimate this into a beam of light, a glass spectrum to disperse the colors and a screen on which to observe the resulting spectrum. This is indeed quite close to a modern spectrometer! Newton's analysis was the beginning of the science of spectroscopy (the study of the frequency distri- bution of light from different sources). The first observation of the discrete nature of emission and absorption from atomic systems was made by Joseph Fraunhofer in 1814. -
Chemical Bonding & Chemical Structure
Chemistry 201 – 2009 Chapter 1, Page 1 Chapter 1 – Chemical Bonding & Chemical Structure ings from inside your textbook because I normally ex- Getting Started pect you to read the entire chapter. 4. Finally, there will often be a Supplement that con- If you’ve downloaded this guide, it means you’re getting tains comments on material that I have found espe- serious about studying. So do you already have an idea cially tricky. Material that I expect you to memorize about how you’re going to study? will also be placed here. Maybe you thought you would read all of chapter 1 and then try the homework? That sounds good. Or maybe you Checklist thought you’d read a little bit, then do some problems from the book, and just keep switching back and forth? That When you have finished studying Chapter 1, you should be sounds really good. Or … maybe you thought you would able to:1 go through the chapter and make a list of all of the impor- tant technical terms in bold? That might be good too. 1. State the number of valence electrons on the following atoms: H, Li, Na, K, Mg, B, Al, C, Si, N, P, O, S, F, So what point am I trying to make here? Simply this – you Cl, Br, I should do whatever you think will work. Try something. Do something. Anything you do will help. 2. Draw and interpret Lewis structures Are some things better to do than others? Of course! But a. Use bond lengths to predict bond orders, and vice figuring out which study methods work well and which versa ones don’t will take time. -
Bohr's 1913 Molecular Model Revisited
Bohr’s 1913 molecular model revisited Anatoly A. Svidzinsky*†‡, Marlan O. Scully*†§, and Dudley R. Herschbach¶ *Departments of Chemistry and Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544; †Departments of Physics and Chemical and Electrical Engineering, Texas A&M University, College Station, TX 77843-4242; §Max-Planck-Institut fu¨r Quantenoptik, D-85748 Garching, Germany; and ¶Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138 Contributed by Marlan O. Scully, July 10, 2005 It is generally believed that the old quantum theory, as presented by Niels Bohr in 1913, fails when applied to few electron systems, such as the H2 molecule. Here, we find previously undescribed solutions within the Bohr theory that describe the potential energy curve for the lowest singlet and triplet states of H2 about as well as the early wave mechanical treatment of Heitler and London. We also develop an interpolation scheme that substantially improves the agreement with the exact ground-state potential curve of H2 and provides a good description of more complicated molecules such as LiH, Li2, BeH, and He2. Bohr model ͉ chemical bond ͉ molecules he Bohr model (1–3) for a one-electron atom played a major Thistorical role and still offers pedagogical appeal. However, when applied to the simple H2 molecule, the ‘‘old quantum theory’’ proved unsatisfactory (4, 5). Here we show that a simple extension of the original Bohr model describes the potential energy curves E(R) for the lowest singlet and triplet states about Fig. 1. Molecular configurations as sketched by Niels Bohr; [from an unpub- as well as the first wave mechanical treatment by Heitler and lished manuscript (7), intended as an appendix to his 1913 papers]. -
Electron Configurations, Orbital Notation and Quantum Numbers
5 Electron Configurations, Orbital Notation and Quantum Numbers Electron Configurations, Orbital Notation and Quantum Numbers Understanding Electron Arrangement and Oxidation States Chemical properties depend on the number and arrangement of electrons in an atom. Usually, only the valence or outermost electrons are involved in chemical reactions. The electron cloud is compartmentalized. We model this compartmentalization through the use of electron configurations and orbital notations. The compartmentalization is as follows, energy levels have sublevels which have orbitals within them. We can use an apartment building as an analogy. The atom is the building, the floors of the apartment building are the energy levels, the apartments on a given floor are the orbitals and electrons reside inside the orbitals. There are two governing rules to consider when assigning electron configurations and orbital notations. Along with these rules, you must remember electrons are lazy and they hate each other, they will fill the lowest energy states first AND electrons repel each other since like charges repel. Rule 1: The Pauli Exclusion Principle In 1925, Wolfgang Pauli stated: No two electrons in an atom can have the same set of four quantum numbers. This means no atomic orbital can contain more than TWO electrons and the electrons must be of opposite spin if they are to form a pair within an orbital. Rule 2: Hunds Rule The most stable arrangement of electrons is one with the maximum number of unpaired electrons. It minimizes electron-electron repulsions and stabilizes the atom. Here is an analogy. In large families with several children, it is a luxury for each child to have their own room. -
Bohr's Model and Physics of the Atom
CHAPTER 43 BOHR'S MODEL AND PHYSICS OF THE ATOM 43.1 EARLY ATOMIC MODELS Lenard's Suggestion Lenard had noted that cathode rays could pass The idea that all matter is made of very small through materials of small thickness almost indivisible particles is very old. It has taken a long undeviated. If the atoms were solid spheres, most of time, intelligent reasoning and classic experiments to the electrons in the cathode rays would hit them and cover the journey from this idea to the present day would not be able to go ahead in the forward direction. atomic models. Lenard, therefore, suggested in 1903 that the atom We can start our discussion with the mention of must have a lot of empty space in it. He proposed that English scientist Robert Boyle (1627-1691) who the atom is made of electrons and similar tiny particles studied the expansion and compression of air. The fact carrying positive charge. But then, the question was, that air can be compressed or expanded, tells that air why on heating a metal, these tiny positively charged is made of tiny particles with lot of empty space particles were not ejected ? between the particles. When air is compressed, these 1 Rutherford's Model of the Atom particles get closer to each other, reducing the empty space. We mention Robert Boyle here, because, with Thomson's model and Lenard's model, both had him atomism entered a new phase, from mere certain advantages and disadvantages. Thomson's reasoning to experimental observations. The smallest model made the positive charge immovable by unit of an element, which carries all the properties of assuming it-to be spread over the total volume of the the element is called an atom. -
Ab Initio Calculation of Energy Levels for Phosphorus Donors in Silicon
Ab initio calculation of energy levels for phosphorus donors in silicon J. S. Smith,1 A. Budi,2 M. C. Per,3 N. Vogt,1 D. W. Drumm,1, 4 L. C. L. Hollenberg,5 J. H. Cole,1 and S. P. Russo1 1Chemical and Quantum Physics, School of Science, RMIT University, Melbourne VIC 3001, Australia 2Materials Chemistry, Nano-Science Center, Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 København Ø, Denmark 3Data 61 CSIRO, Door 34 Goods Shed, Village Street, Docklands VIC 3008, Australia 4Australian Research Council Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, VIC 3001, Australia 5Centre for Quantum Computation and Communication Technology, School of Physics, The University of Melbourne, Parkville, 3010 Victoria, Australia The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modelling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density functional theory. The wavefunction of the donor electron's ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45.59 meV. We also calculate the energies of the excited 1s(T2) and 1s(E) states, finding them to be 32 and 31 meV respectively. These results constitute the first ab initio confirmation of the s manifold energy levels for phosphorus donors in silicon. -
Niels Bohr and the Atomic Structure
GENERAL ¨ ARTICLE Niels Bohr and the Atomic Structure M Durga Prasad Niels Bohr developed his model of the atomic structure in 1913 that succeeded in explaining the spectral features of hydrogen atom. In the process, he incorporated some non-classical features such as discrete energy levels for the bound electrons, and quantization of their angular momenta. Introduction MDurgaPrasadisa Professor of Chemistry An atom consists of two interacting subsystems. The first sub- at the University of system is the atomic nucleus, consisting of Z protons and A–Z Hyderabad. His research neutrons, where Z and A are the atomic number and atomic weight interests lie in theoretical respectively, of the concerned atom. The electrons that are part of chemistry. the second subsystem occupy (to zeroth order approximation) discrete energy levels, called the orbitals, according to the Aufbau principle with the restriction that no more than two electrons occupy a given orbital. Such paired electrons must have their spins in opposite direction (Pauli’s exclusion principle). The two subsystems interact through Coulomb attraction that binds the electrons to the nucleus. The nucleons in turn are trapped in the nucleus due to strong interactions. The two forces operate on significantly different scales of length and energy. Consequently, there is a clear-cut demarcation between the nuclear processes such as radioactivity or fission, and atomic processes involving the electrons such as optical spectroscopy or chemical reactivity. This picture of the atom was developed in the period between 1890 and 1928 (see the timeline in Box 1). One of the major figures in this development was Niels Bohr, who introduced most of the terminology that is still in use. -
Module P11.3 Schrödinger's Model of the Hydrogen Atom
FLEXIBLE LEARNING APPROACH TO PHYSICS Module P11.3 Schrödinger’s model of the hydrogen atom 1 Opening items 3.4 Ionization and degeneracy 1.1 Module introduction 3.5 Comparison of the Bohr and the Schrödinger 1.2 Fast track questions models of the hydrogen atom 1.3 Ready to study? 3.6 The classical limit 2 The early quantum models for hydrogen 4 Closing items 2.1 Review of the Bohr model 4.1 Module summary 2.2 The wave-like properties of the electron 4.2 Achievements 3 The Schrödinger model for hydrogen 4.3 Exit test 3.1 The potential energy function and the Exit module Schrödinger equation 3.2 Qualitative solutions for wavefunctions1 —1the quantum numbers 3.3 Qualitative solutions of the Schrödinger equation1—1the electron distribution patterns FLAP P11.3 Schrödinger’s model of the hydrogen atom COPYRIGHT © 1998 THE OPEN UNIVERSITY S570 V1.1 1 Opening items 1.1 Module introduction The hydrogen atom is the simplest atom. It has only one electron and the nucleus is a proton. It is therefore not surprising that it has been the test-bed for new theories. In this module, we will look at the attempts that have been made to understand the structure of the hydrogen atom1—1a structure that leads to a typical line spectrum. Nineteenth century physicists, starting with Balmer, had found simple formulae that gave the wavelengths of the observed spectral lines from hydrogen. This was before the discovery of the electron, so no theory could be put forward to explain the simple formulae. -
Lecture 3. the Origin of the Atomic Orbital: Where the Electrons Are
LECTURE 3. THE ORIGIN OF THE ATOMIC ORBITAL: WHERE THE ELECTRONS ARE In one sentence I will tell you the most important idea in this lecture: Wave equation solutions generate atomic orbitals that define the electron distribution around an atom. To start we need to simplify the math by switching to spherical polar coordinates (everything = spherical) rather than Cartesian coordinates (everything = at right angles). So the wave equations generated will now be of the form ψ(r, θ, Φ) = R(r)Y(θ, Φ) where R(r) describes how far out on a radial trajectory from the nucleus you are. r is a little way out and is small Now that we are extended radially on ψ, we need to ask where we are on the sphere carved out by R(r). Think of blowing up a balloon and asking what is going on at the surface of each new R(r). To cover the entire surface at projection R(r), we need two angles θ, Φ that get us around the sphere in a manner similar to knowing the latitude & longitude on the earth. These two angles yield Y(θ, Φ) which is the angular wave function A first solution: generating the 1s orbit So what answers did Schrodinger get for ψ(r, θ, Φ)? It depended on the four quantum numbers that bounded the system n, l, ml and ms. So when n = 1 and = the solution he calculated was: 1/2 -Zr/a0 1/2 R(r) = 2(Z/a0) *e and Y(θ, Φ) = (1/4π) .