When electrons are occupying the lowest energy level possible the electrons are said to be in the State?

The Pauli exclusion principle requires that the bare scattering rate given by Eqn. (17) be modified by a factor 1−fm(k′) in the collision integral of the BTE, where fm(k′) is the one-particle distribution function for the state k′ in band (subband) m after scattering.

From: Encyclopedia of Materials: Science and Technology, 2001

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The Aufbau section discussed how electrons fill the lowest energy orbitals first, and then move up to higher energy orbitals only after the lower energy orbitals are full. However, there is a problem with this rule. Certainly, 1s orbitals should be filled before 2s orbitals, because the 1s orbitals have a lower value of \(n\), and thus a lower energy. What about filling the three different 2p orbitals? In what order should they be filled? The answer to this question involves Hund's rule.

Hund's rule states that:

  1. Every orbital in a sublevel is singly occupied before any orbital is doubly occupied.
  2. All of the electrons in singly occupied orbitals have the same spin (to maximize total spin).

When assigning electrons to orbitals, an electron first seeks to fill all the orbitals with similar energy (also referred to as degenerate orbitals) before pairing with another electron in a half-filled orbital. Atoms at ground states tend to have as many unpaired electrons as possible. In visualizing this process, consider how electrons exhibit the same behavior as the same poles on a magnet would if they came into contact; as the negatively charged electrons fill orbitals, they first try to get as far as possible from each other before having to pair up.

Example \(\PageIndex{1}\): Nitrogen Atoms

Consider the correct electron configuration of the nitrogen (Z = 7) atom: 1s2 2s2 2p3

When electrons are occupying the lowest energy level possible the electrons are said to be in the  State?

The p orbitals are half-filled; there are three electrons and three p orbitals. This is because the three electrons in the 2p subshell will fill all the empty orbitals first before pairing with electrons in them.

Keep in mind that elemental nitrogen is found in nature typically as molecular nitrogen, \(\ce{N2}\), which requires molecular orbitals instead of atomic orbitals as demonstrated above.

Example \(\PageIndex{2}\): Oxygen Atoms

Next, consider oxygen (Z = 8) atom, the element after nitrogen in the same period; its electron configuration is: 1s2 2s2 2p4

When electrons are occupying the lowest energy level possible the electrons are said to be in the  State?

Oxygen has one more electron than nitrogen; as the orbitals are all half-filled, the new electron must pair up. Keep in mind that elemental oxygen is found in nature typically as molecular oxygen, \(\ce{O_2}\), which has molecular orbitals instead of atomic orbitals as demonstrated above.

According to the first rule, electrons always enter an empty orbital before they pair up. Electrons are negatively charged and, as a result, they repel each other. Electrons tend to minimize repulsion by occupying their own orbitals, rather than sharing an orbital with another electron. Furthermore, quantum-mechanical calculations have shown that the electrons in singly occupied orbitals are less effectively screened or shielded from the nucleus. Electron shielding is further discussed in the next section.

For the second rule, unpaired electrons in singly occupied orbitals have the same spins. Technically speaking, the first electron in a sublevel could be either "spin-up" or "spin-down." Once the spin of the first electron in a sublevel is chosen, however, the spins of all of the other electrons in that sublevel depend on that first spin. To avoid confusion, scientists typically draw the first electron, and any other unpaired electron, in an orbital as "spin-up."

Example \(\PageIndex{3}\): Carbon and Oxygen

Consider the electron configuration for carbon atoms: 1s22s22p2: The two 2s electrons will occupy the same orbital, whereas the two 2p electrons will be in different orbital (and aligned the same direction) in accordance with Hund's rule.

Consider also the electron configuration of oxygen. Oxygen has 8 electrons. The electron configuration can be written as 1s22s22p4. To draw the orbital diagram, begin with the following observations: the first two electrons will pair up in the 1s orbital; the next two electrons will pair up in the 2s orbital. That leaves 4 electrons, which must be placed in the 2p orbitals. According to Hund’s rule, all orbitals will be singly occupied before any is doubly occupied. Therefore, two p orbital get one electron and one will have two electrons. Hund's rule also stipulates that all of the unpaired electrons must have the same spin. In keeping with convention, the unpaired electrons are drawn as "spin-up", which gives (Figure 1).

When atoms come into contact with one another, it is the outermost electrons of these atoms, or valence shell, that will interact first. An atom is least stable (and therefore most reactive) when its valence shell is not full. The valence electrons are largely responsible for an element's chemical behavior. Elements that have the same number of valence electrons often have similar chemical properties.

Electron configurations can also predict stability. An atom is most stable (and therefore unreactive) when all its orbitals are full. The most stable configurations are the ones that have full energy levels. These configurations occur in the noble gases. The noble gases are very stable elements that do not react easily with any other elements. Electron configurations can assist in making predictions about the ways in which certain elements will react, and the chemical compounds or molecules that different elements will form.

Hund's Rules is shared under a CC BY-SA license and was authored, remixed, and/or curated by LibreTexts.

In any introductory chemistry course you will have come across the electronic structures of hydrogen and carbon drawn as:

The circles show energy levels - representing increasing distances from the nucleus. You could straighten the circles out and draw the electronic structure as a simple energy diagram.

Orbits and orbitals sound similar, but they have quite different meanings. It is essential that you understand the difference between them. To plot a path for something you need to know exactly where the object is and be able to work out exactly where it's going to be an instant later. You can't do this for electrons.

The Heisenberg Uncertainty Principle says that you cannot know with certainty both where an electron is and where it's going next. That makes it impossible to plot an orbit for an electron around a nucleus. Is this a big problem? No. If something is impossible, you have to accept it and find a way around it.

Suppose you had a single hydrogen atom and at a particular instant plotted the position of the one electron. Soon afterwards, you do the same thing, and find that it is in a new position. You have no idea how it got from the first place to the second. You keep on doing this over and over again, and gradually build up a sort of 3D map of the places that the electron is likely to be found.

In the hydrogen case, the electron can be found anywhere within a spherical space surrounding the nucleus. The diagram shows a cross-section through this spherical space. 95% of the time (or any other percentage you choose), the electron will be found within a fairly easily defined region of space quite close to the nucleus. Such a region of space is called an orbital. You can think of an orbital as being the region of space in which the electron lives.

What is the electron doing in the orbital? We don't know, we can't know, and so we just ignore the problem! All you can say is that if an electron is in a particular orbital it will have a particular definable energy.

Each orbital has a name. The orbital occupied by the hydrogen electron is called a 1s orbital. The "1" represents the fact that the orbital is in the energy level closest to the nucleus. The "s" tells you about the shape of the orbital. s orbitals are spherically symmetric around the nucleus - in each case, like a hollow ball made of rather chunky material with the nucleus at its center.

The orbital on the left is a 2s orbital. This is similar to a 1s orbital except that the region where there is the greatest chance of finding the electron is further from the nucleus - this is an orbital at the second energy level. If you look carefully, you will notice that there is another region of slightly higher electron density (where the dots are thicker) nearer the nucleus. ("Electron density" is another way of talking about how likely you are to find an electron at a particular place.)

2s (and 3s, 4s, etc) electrons spend some of their time closer to the nucleus than you might expect. The effect of this is to slightly reduce the energy of electrons in s orbitals. The nearer the nucleus the electrons get, the lower their energy. 3s, 4s (etc) orbitals get progressively further from the nucleus.

Not all electrons inhabit s orbitals (in fact, very few electrons live in s orbitals). At the first energy level, the only orbital available to electrons is the 1s orbital, but at the second level, as well as a 2s orbital, there are also orbitals called 2p orbitals. A p orbital is rather like 2 identical balloons tied together at the nucleus. The diagram on the right is a cross-section through that 3-dimensional region of space. Once again, the orbital shows where there is a 95% chance of finding a particular electron.

Unlike an s orbital, a p orbital points in a particular direction - the one drawn points up and down the page. At any one energy level it is possible to have three absolutely equivalent p orbitals pointing mutually at right angles to each other. These are arbitrarily given the symbols px, py and pz. This is simply for convenience - what you might think of as the x, y or z direction changes constantly as the atom tumbles in space.

The p orbitals at the second energy level are called 2px, 2py and 2pz. There are similar orbitals at subsequent levels - 3px, 3py, 3pz, 4px, 4py, 4pz and so on. All levels except for the first level have p orbitals. At the higher levels the lobes get more elongated, with the most likely place to find the electron more distant from the nucleus.

Because for the moment we are only interested in the electronic structures of hydrogen and carbon, we do not need to concern ourselves with what happens beyond the second energy level. Remember:

  • At the first level there is only one orbital - the \(1s\) orbital.
  • At the second level there are four orbitals - the \(2s\), \(2p_x\), \(2p_y\) and \(2p_z\) or bitals.
  • Each orbital can hold either 1 or 2 electrons, but no more.

Orbitals can be represented as boxes with the electrons in them shown as arrows. Often an up-arrow and a down-arrow are used to show that the electrons are in some way different. A 1s orbital holding 2 electrons would be drawn as shown on the right, but it can be written even more quickly as 1s2. This is read as "one s two" - not as "one s squared". You mustn't confuse the two numbers in this notation:

Electrons fill low energy orbitals (closer to the nucleus) before they fill higher energy ones. Where there is a choice between orbitals of equal energy, they fill the orbitals singly as far as possible. The diagram (not to scale) summarizes the energies of the various orbitals in the first and second levels.

Notice that the 2s orbital has a slightly lower energy than the 2p orbitals. That means that the 2s orbital will fill with electrons before the 2p orbitals. All the 2p orbitals have exactly the same energy.

Example 1: The electronic structure of hydrogen
Hydrogen only has one electron and that will go into the orbital with the lowest energy - the 1s orbital. Hydrogen has an electronic structure of 1s1. We have already described this orbital earlier.
Example 2: The electronic structure of carbon

Carbon has six electrons. Two of them will be found in the 1s orbital close to the nucleus. The next two will go into the 2s orbital. The remaining ones will be in two separate 2p orbitals. This is because the p orbitals all have the same energy and the electrons prefer to be on their own if that's the case.

The electronic structure of carbon is normally written 1s22s22px12py10

Jim Clark (Chemguide.co.uk)

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