A crystal is a highly organized arrangement of atoms in a solid, wherein a unit cell is periodically repeated to form the crystal pattern. A unit cell is composed of atoms that are connected to some of their first nei...A crystal is a highly organized arrangement of atoms in a solid, wherein a unit cell is periodically repeated to form the crystal pattern. A unit cell is composed of atoms that are connected to some of their first neighbors by chemical bonds. A recent rule, entitled the even-odd rule, introduced a new way to calculate the number of covalent bonds around an atom. It states that around an uncharged atom, the number of bonds and the number of electrons have the same parity. In the case of a charged atom on the contrary, both numbers have different parity. The aim of the present paper is to challenge the even-odd rule on chemical bonds in well-known crystal structures. According to the rule, atoms are supposed to be bonded exclusively through single-covalent bonds. A distinctive criterion, only applicable to crystals, states that atoms cannot build more than 8 chemical bonds, as opposed to the classical model, where each atom in a crystal is connected to every first neighbor without limitation. Electrical charges can be assigned to specific atoms in order to compensate for extra or missing bonds. More specifically the article considers di-atomic body-centered-cubic, tetra-atomic and dodeca-atomic single-face-centered-cubic crystals. In body-centered crystals, atoms are interconnected by 8 covalent bonds. In face-centered crystal, the unit cell contains 4 or 12 atoms. For di-element crystals, the total number of bonds for both elements is found to be identical. The neutrality of the unit cell is obtained with an opposite charge on the nearest or second-nearest neighbor. To conclude, the even-odd rule is applicable to a wide number of compounds in known cubic structures and the number of chemical bonds per atom is not related to the valence of the elements in the periodic table.展开更多
In the course of time, numerous rules were proposed to predict how atoms connect through covalent bonds. Based on the classification of elements in the periodic table, the rule of eight was first proposed to draw form...In the course of time, numerous rules were proposed to predict how atoms connect through covalent bonds. Based on the classification of elements in the periodic table, the rule of eight was first proposed to draw formulas of organic compounds. The later named octet rule exhibited shortcomings when applied to inorganic compounds. Another rule, the rule of two, using covalent bonds between atoms, was proposed as an attempt to unify description of organic and inorganic molecules. This rule unfortunately never managed to expand the field of application of the octet rule to inorganic compounds. In order to conciliate organic and inorganic compounds, the recently put forward even-odd and the isoelectronicity rules suggest the creation of one group of compounds with pairs of electrons. These rules compass the rule of two for covalent bonds as well as the octet rule for organic compounds and suggest transforming bonds of multi-bonded compounds in order to unify representations of both groups of compounds. The aim of the present paper is fourfold: to extend the rule of two to every atom shells;to replace the well-known octet rule by the even-odd rule;to apply the isoelectronicity rule to each atom and to reduce the influence range of the charge of an atom in a compound. According to both rules, the drawing of one atom with its single-covalent bonds is described with electron pairs and charge positions. To illustrate the rules, they are applied to 3D configurations of clusters.展开更多
文摘A crystal is a highly organized arrangement of atoms in a solid, wherein a unit cell is periodically repeated to form the crystal pattern. A unit cell is composed of atoms that are connected to some of their first neighbors by chemical bonds. A recent rule, entitled the even-odd rule, introduced a new way to calculate the number of covalent bonds around an atom. It states that around an uncharged atom, the number of bonds and the number of electrons have the same parity. In the case of a charged atom on the contrary, both numbers have different parity. The aim of the present paper is to challenge the even-odd rule on chemical bonds in well-known crystal structures. According to the rule, atoms are supposed to be bonded exclusively through single-covalent bonds. A distinctive criterion, only applicable to crystals, states that atoms cannot build more than 8 chemical bonds, as opposed to the classical model, where each atom in a crystal is connected to every first neighbor without limitation. Electrical charges can be assigned to specific atoms in order to compensate for extra or missing bonds. More specifically the article considers di-atomic body-centered-cubic, tetra-atomic and dodeca-atomic single-face-centered-cubic crystals. In body-centered crystals, atoms are interconnected by 8 covalent bonds. In face-centered crystal, the unit cell contains 4 or 12 atoms. For di-element crystals, the total number of bonds for both elements is found to be identical. The neutrality of the unit cell is obtained with an opposite charge on the nearest or second-nearest neighbor. To conclude, the even-odd rule is applicable to a wide number of compounds in known cubic structures and the number of chemical bonds per atom is not related to the valence of the elements in the periodic table.
文摘In the course of time, numerous rules were proposed to predict how atoms connect through covalent bonds. Based on the classification of elements in the periodic table, the rule of eight was first proposed to draw formulas of organic compounds. The later named octet rule exhibited shortcomings when applied to inorganic compounds. Another rule, the rule of two, using covalent bonds between atoms, was proposed as an attempt to unify description of organic and inorganic molecules. This rule unfortunately never managed to expand the field of application of the octet rule to inorganic compounds. In order to conciliate organic and inorganic compounds, the recently put forward even-odd and the isoelectronicity rules suggest the creation of one group of compounds with pairs of electrons. These rules compass the rule of two for covalent bonds as well as the octet rule for organic compounds and suggest transforming bonds of multi-bonded compounds in order to unify representations of both groups of compounds. The aim of the present paper is fourfold: to extend the rule of two to every atom shells;to replace the well-known octet rule by the even-odd rule;to apply the isoelectronicity rule to each atom and to reduce the influence range of the charge of an atom in a compound. According to both rules, the drawing of one atom with its single-covalent bonds is described with electron pairs and charge positions. To illustrate the rules, they are applied to 3D configurations of clusters.
