Free atom

The energy required to remove an electron from a free atom or ion in the gaseous state. 

A photon emitted by a source comprising the element to be analyzed will be absorbed by the same atoms if they are present in their free atomic state in the flame or in the furnace. 

One of these is the first ionisation energy. This is the energy needed to remove one electron from a free atom of the element, i.e. for the process ... 

The increases in melting point and boiling point arise because of increased attraction between the free atoms these forces of attraction are van der Waal s forces (p. 47) and they increase with increase of size. These forces are at their weakest between helium atoms, and helium approaches most closely to the ideal gas liquid helium has some notable characteristics, for example it expands on cooling and has very high thermal conductivity. 

In the older form of the periodic table, chromium was placed in Group VI, and there are some similarities to the chemistry of this group (Chapter 10). The outer electron configuration, 3d 4s. indicates the stability of the half-filled d level. 3d 4s being more stable than the expected 3d 4s for the free atom. Like vanadium and titanium, chromium can lose all its outer electrons, giving chromium)VI) however, the latter is strongly oxidising and is... 

A technique is any chemical or physical principle that can be used to study an analyte. Many techniques have been used to determine lead levels. For example, in graphite furnace atomic absorption spectroscopy lead is atomized, and the ability of the free atoms to absorb light is measured thus, both a chemical principle (atomization) and a physical principle (absorption of light) are used in this technique. Chapters 8-13 of this text cover techniques commonly used to analyze samples. 

The process of converting an analyte into a free atom. 

Atomization The most important difference between a spectrophotometer for atomic absorption and one for molecular absorption is the need to convert the analyte into a free atom. The process of converting an analyte in solid, liquid, or solution form to a free gaseous atom is called atomization. In most cases the sample containing the analyte undergoes some form of sample preparation that leaves the analyte in an organic or aqueous solution. For this reason, only the introduction of solution samples is considered in this text. Two general methods of atomization are used flame atomization and electrothermal atomization. A few elements are atomized using other methods. 

Naiiow-line uv—vis spectia of free atoms, corresponding to transitions ia the outer electron shells, have long been employed for elemental analysis usiag both atomic absorption (AAS) and emission (AES) spectroscopy (159,160). Atomic spectroscopy is sensitive but destmctive, requiring vaporization and decomposition of the sample iato its constituent elements. Some of these techniques are compared, together with mass spectrometry, ia Table 4 (161,162). 

K. J. Klabunde (ed.). Thin Films from Free Atoms and Particles, Academic Piess (1985) QC.176.83 T47 (1983). 

In the plasma, the sample is vaporized and chemical bonds are effectively broken resulting in free atoms and ions. Temperatures of 5000-9000 K have been measured in the plasma compared to typical temperatures of 2000-3000 K in flames and graphite furnaces. 

When Max Planck wrote his remarkable paper of 1901, and introduced what Stehle (1994) calls his time bomb of an equation, e = / v , it took a number of years before anyone seriously paid attention to the revolutionary concept of the quantisation of energy the response was as sluggish as that, a few years later, whieh greeted X-ray diffraction from crystals. It was not until Einstein, in 1905, used Planck s concepts to interpret the photoelectric effect (the work for which Einstein was actually awarded his Nobel Prize) that physicists began to sit up and take notice. Niels Bohr s thesis of 1911 which introduced the concept of the quantisation of electronic energy levels in the free atom, though in a purely empirical manner, did not consider the behaviour of atoms assembled in solids. 

In its ground state, the free atom Si has the electronic configuration [Ne]3s 3p. Ionization energies and other properties are compared with those of the other members of Group 14 on p. 372. Silicon crystallizes in the diamond... 

N occupy an sp lone-pair in the plane of the ring (or the plane of the local PNP triangle) as in Fig. 12.26a. The situation at P is less clear mainly because of uncertainties concerning the d-orbital energies and the radial extent (size) of these orbitals in the bonding situation (as distinct from the free atom). In so far as symmetry is concerned, the sp lone-pair on each N can be involved in coordinate bonding in the jcy plane... 

The electronic configurations of the free atoms are determined only with difficulty because of the complexity of their atomic spectra, but it is generally agreed that they are nearly all [Xe]4f 5d 6s. The exceptions are ... 

Carbon atoms in free space have spherical symmetry, but a carbon atom in a molecule is a quite different entity because its charge density may well distort from spherical symmetry. To take account of the finer points of this distortion, we very often need to include d, f,. .. atomic orbitals in the basis set. Such atomic orbitals are referred to as polarization functions because their inclusion would allow a free atom to take account of the polarization induced by an external electric field or by molecule formation. 1 mentioned polarization functions briefly in Section 9.3.1. 

Table 11.1 shows an interesting point about CISD. The energy of the dineon pair at the arbitrarily large separation of 5000 pm is exactly twice the energy of two free atoms at the HF-LCAO level of theory, but this is not the case at the CISD level of theory. We say that HF theory scales correctly, whilst CISD does not. 

Table 2 shows that in the case of ratile the GGA overestimation of lattice constants is less important in the present calculation than in Ref. 3. Most likely explanation is that the GGA functional is used here only for solid state calculations and not for the pseudopotential generation from the free atom. This procedure has been shown to give more accurate structural results than with the GGA applied both in the potential generation and solid state... 

A useful way to approach these individual point defect energies is to define the energy per mole or cohesive energy of perfect material with respect to separated free atoms, Cmoi-We can then arbitrarily divide this between the atoms of type A and B so that ... 

There are several ways to choose the more plausible of two structures differing in their arrangement of atoms. As pointed out in Example 7.1, the fact that carbon almost always forms four bonds leads to the correct structure for ethane. Another approach involves a concept called formal charge, which can be applied to any atom within a Lewis structure. The formal charge is the difference between the number of valence electrons in the free atom and the number assigned to that atom in the Lewis structure. The assigned electrons include—... 

There are two basic differences of (sic) free atoms and chemically bound atoms. First, the more diffuse an AO, the stronger it is perturbed in molecular and condensed matter. The (n + )s AOs of the transition metal atoms, especially of the earlier ones, are not of primary importance for chemical bonding. Their relevance is comparable to that of the diffuse orbitals of main group elements ([34], p 653). 

What is of primary importance chemically is not the ground state, nor the ground configuration, which is some average of valence states, of the free atom but it is the atomic response properties to perturbations by other atoms. That is governed by the energies and spatial extensions and polarizabilities of the upper core and of the compact valence orbitals ([34], p 653). 

Magnetic exchange, 1,257, 267 polymetallic complexes, 1,138 Magnetic moment, 1, 259 Magnetic properties atomic systems, 1,260 cubic field systems, 1,263 free-atom states and terms, I, 260 lower symmetry, 1, 264 zero-field splitting, 1,262 Magnetic susceptibility, 1,256, 259 Magnetism... 

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