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The Quantum Mechanical Model of the Atom What does “quanta” mean? In physics, a quantum (plural: quanta) is the minimum amount of any physical entity involved in an interaction. Behind this, one finds the fundamental notion that a physical property may be "quantized," referred to as "the hypothesis of quantization". This means that the magnitude can take on only certain discrete values. Why Is Energy Quantized After Max Planck determined that energy is released and absorbed by atoms in certain fixed amounts known as quanta, Albert Einstein took his work a step further, determining that radiant energy is also quantized—he called the discrete energy packets photons. Einstein’s theory was that electromagnetic radiation (light, for example) has characteristics of both a wave and a stream of particles. The Dual Nature of Light as stated by Louis de Broglie The Bohr Model of the Atom In 1913, Niels Bohr used what had recently been discovered about energy to propose his planetary model of the atom. In the Bohr model, the neutrons and protons are contained in a small, dense nucleus, which the electrons orbit in defined spherical orbits. He referred to these orbits as “shells” or “energy levels” and designated each by an integer: 1, 2, 3, etc. The Bohr Model of the Atom (cont’d) An electron occupying the first energy level was thought to be closer to the nucleus and have lower energy than one that was in a numerically higher energy level. Bohr theorized that energy in the form of photons must be absorbed in order for an electron to move from a lower energy level to a higher one, and is emitted when an electron travels from a higher energy level to a lower one. In the Bohr model, the lowest energy state available for an electron is the ground state, and all higher-energy states are excited states. Orbitals and Quantum Numbers In the 1920s, Werner Heisenberg put forth his uncertainty principle, which states that, at any one time, it is impossible to calculate both the momentum and the location of an electron in an atom; it is only possible to calculate the probability of finding an electron within a given space. This meant that electrons, instead of traveling in defined orbits or hard, spherical “shells,” as Bohr proposed, travel in diffuse clouds around the nucleus. When we say “orbital,” the image below is what we picture in our minds. Quantum Numbers? To describe the location of electrons, we use quantum numbers. Quantum numbers are basically used to describe certain aspects of the locations of electrons. For example, the quantum numbers n, l, and ml describe the position of the electron with respect to the nucleus, the shape of the orbital, and its special orientation, while the quantum number ms describes the direction of the electron’s spin within a given orbital. Below are the four quantum numbers, showing how they are depicted and what aspects of electrons they describe. Principal quantum number (n) It has positive values of 1, 2, 3, etc. As n increases, the orbital becomes larger—this means that the electron has a higher energy level and is less tightly bound to the nucleus. Azimuthal quantum number (l) It has values from 0 to n – 1. This defines the shape of the orbital, and the value of l is designated by the letters s, p, d, and f, which correspond to values for l of 0, 1, 2, and 3. In other words, if the value of l is 0, it is expressed as s; if l = 1 = p, l = 2 = d, and l = 3 = f Spin quantum number (ms) It specifies the value for the spin and is either +1/2 or -1/2. No more than two electrons can occupy any one orbital. In order for two electrons to occupy the same orbital, they must have opposite spins. Magnetic quantum number (ml) It determines the orientation of the orbital in space relative to the other orbitals in the atom. This quantum number has values from -l through 0 to +l. What You Should Keep In Mind About Quantum Numbers and Electron Shells Orbitals that have the same principal quantum number, n, are part of the same electron shell. For example, orbitals that have n = 2 are said to be in the second shell. When orbitals have the same n and l, they are in the same subshell; so orbitals that have n = 2 and l = 3 are said to be 2f orbitals, in the 2f subshell. Finally, you should keep in mind that according to the Pauli exclusion principle, 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 if the orbital does contain two electrons, they must be of opposite spin. s, p, d, f, and g? Value of l (subshell) Letter Designation 0 s 1 p 2 d 3 f 4 g What do we mean by “1s, 2s, 3d, 5f…”? When chemists describe one particular subshell in an atom, they can use both the n value and the subshell letter — 2p, 3d, and so on. Normally, a subshell value of 4 is the largest needed to describe a particular subshell. If chemists ever need a larger value, they can create subshell numbers and letters. The following figure shows the shapes of the s, p, and d orbitals. What does it mean? As shown in the top row of the figure (a), there are two s orbitals — one for energy level 1 (1s) and the other for energy level 2 (2s). The s orbitals are spherical with the nucleus at the center. Notice that the 2s orbital is larger in diameter than the 1s orbital. In large atoms, the 1s orbital is nestled inside the 2s, just like the 2p is nestled inside the 3p. The second row of the figure (b) shows the shapes of the p orbitals, and the last two rows (c) show the shapes of the d orbitals. Notice that the shapes get progressively more complex. Left to right: Max Planck, Albert Einstein, Niels Bohr, Louis de Broglie, Max Born, Paul Dirac, Werner Heisenberg, Wolfgang Pauli, Erwin Schrödinger, and Richard Feynman. Energy levels and multielectron atoms To construct a model of an atom, follow these two rules: (1) Aufbau Principle – Electrons always enter orbitals of the lowest energy first. (2) There is a maximum number of electrons for each energy level. The number is given by 2n2 where n is the principle quantum number. Pauli Exclusion Principle An atomic orbital may describe at most two electrons. To occupy the same orbitals, two electrons must have opposite spins. Spin is a quantum property of electrons and may be clockwise (represented by an upward pointing arrow ↑) or counterclockwise (represented by a downward pointing arrow ↓). Hund’s Rule When electrons occupy orbitals of equal energy, one electron enters each orbital until all the orbitals contain one electron with spins parallel (either all the spins are clockwise or all the spins are counterclockwise). Second electrons then add to each orbital so that their spins are paired with the first electrons in the orbital. Steps to Writing the Electron Configuration of an Atom Step 1 Get a Periodic Table of Elements Find out how many electrons the atom has. On the periodic table, the atomic number is the number of protons of the atom, and thus equals the number of electrons in an atom with zero charge. Step 2: Mnemonic for Filling Orbitals Step 3 • Put one electron into the highest energy orbital available, starting with 1s (holds a maximum of two electrons). Fill the orbitals in this order (the number in superscript following the sublevel is the maximum number of electrons it can hold): – 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d10 6p6 7s2 5f14 6d10 – Note: Energy level changes as you go up. For example, when you are about to go up to the 4th energy level, it becomes 4s first, then 3d. After the fourth energy level, you'll move onto the 5th where it follows the order once again. This only happens after the 3rd energy level! Step 4 • Once you've put every electron into an orbital (according to the order), write the configuration as shown at the end of step 3. Only write the orbitals that contain electrons. • So, an uncharged antimony atom's electron configuration would be 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p3. Notice that the superscript number following 5p is 3. That's because only three electrons are in the 5p sublevel, so the sublevel is not completely occupied (it lacks three more electrons).