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
Although atom configuration in crystals is precisely known thanks to imaging techniques, there is no experimental way to know the exact location of bonds or charges. Many different representations have been proposed, ...Although atom configuration in crystals is precisely known thanks to imaging techniques, there is no experimental way to know the exact location of bonds or charges. Many different representations have been proposed, yet no theory to unify conceptions. The present paper describes methods to derive bonds and charge location in double-face-centered cubic crystals with 4 and 6 atoms per unit cell using two novel rules introduced in earlier works: the even-odd and the isoelectronicity rules. Both of these rules were previously applied to ions, molecules and some solids, and the even-odd rule was also tested on two covalent crystal structures: centered-cubic and single-face-centered cubic crystals. In the present study, the diamond-like structure was subjected to the isoelectronicity rule in order to derive Zinc-blende structures. Rock-salt-like crystals were derived from each other using both rules. These structures represent together more than 230 different crystals. Findings for these structures are threefold: both rules describe a very sure method to obtain valid single covalent-bonded structures;single covalent structures can be used in every case instead of the classical ionic model;covalent bonds and charges positions do not have any relation with the valence number given in the periodic table.展开更多
Building on the recent success of the even-odd rule, the present paper explores its implications by studying the very specific case of OXO compounds. These compounds are usually represented with double bonds linking t...Building on the recent success of the even-odd rule, the present paper explores its implications by studying the very specific case of OXO compounds. These compounds are usually represented with double bonds linking two oxygen atoms to a central atom—as in carbon dioxyde—yet can sometimes be drawn in a triangular structure, such as in calcium dioxyde. Measurement data moreover indicate that most OXO compounds have an angle around 120° between oxygen atoms, although that seems incompatible with triangular representations. The aim here is to unify these commonly admitted representations by linking oxygen atoms through a single bond that is longer than usual covalent bonds: an “elongated bond”. This elongated bond has the interesting effect of suppressing the need for double bonds between oxygen and the central atom. The elongated bond concept is applied to about a hundred of molecules and ions and methodically compared to classical representations. It is shown that this new representation, associated to the even-odd rule, is compatible with all studied compounds and can be used in place of their classical drawings. Its usage greatly simplifies complex concepts like resonance and separated charges in gases. Elongated bonds are also shown to be practicable with the isoelectronic rule as well as isomers, and throughout chemical reactions. This study of an especially long and wide angle bond confirms the versatility of the even-odd rule: it is not limited to compounds with short covalent bonds and can include OO covalent bond lengths of more than 200 pm and with OXO angles above 90°.展开更多
The present paper deals with carbon in highly organized solids like graphene and its three-dimensional derivatives: fullerenes, carbon nanotubes and capped carbon nanotubes. It proposes an alternative to the typical b...The present paper deals with carbon in highly organized solids like graphene and its three-dimensional derivatives: fullerenes, carbon nanotubes and capped carbon nanotubes. It proposes an alternative to the typical bonding pattern exposed in literature. This novel bonding pattern involves alternating positively and negatively charged carbon atoms around hexagonal rings, then a few uncharged and partially bonded atoms close to the pentagon rings. The article focuses on fullerenes inscribed into a regular icosahedron, then addressing the most common fullerenes like C60. Carbon atoms are found to have predominantly three single bonds and less often two separated single </span><span style="font-family:Verdana;">bonds. The same pattern explains equally well carbon nanotubes and closed-tip</span><span style="font-family:Verdana;"> nanotubes, of which C70 is a special case.展开更多
Building on the idea that molecules in liquid phase associate into multi-molecular complexes through covalent bonds, the present article focuses on the possible structures of these complexes. Saturation at atomic leve...Building on the idea that molecules in liquid phase associate into multi-molecular complexes through covalent bonds, the present article focuses on the possible structures of these complexes. Saturation at atomic level is a key concept to understand where connections occur and how far molecules aggregate. A periodic table for liquids with saturation levels is proposed, in agreement with the even-odd rule, for both organic and inorganic elements. With the aim at reaching the most stable complexes, meaning no other chemical reactions can occur in the liquid phase, the structure of complexes resulting from liquefaction of about 30 molecules is devised. The article concludes that complexes in liquids generally assume rounded shapes of an intermediate size between gas and solid structures. It shows that saturation and covalent bonds alone can explain the specific properties of liquids. While it is generally acknowledged that molecular energy in gases and solids are respectively linear kinetic and vibratory, we suggest that rotatory energy dominates in liquids.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Although atom configuration in crystals is precisely known thanks to imaging techniques, there is no experimental way to know the exact location of bonds or charges. Many different representations have been proposed, yet no theory to unify conceptions. The present paper describes methods to derive bonds and charge location in double-face-centered cubic crystals with 4 and 6 atoms per unit cell using two novel rules introduced in earlier works: the even-odd and the isoelectronicity rules. Both of these rules were previously applied to ions, molecules and some solids, and the even-odd rule was also tested on two covalent crystal structures: centered-cubic and single-face-centered cubic crystals. In the present study, the diamond-like structure was subjected to the isoelectronicity rule in order to derive Zinc-blende structures. Rock-salt-like crystals were derived from each other using both rules. These structures represent together more than 230 different crystals. Findings for these structures are threefold: both rules describe a very sure method to obtain valid single covalent-bonded structures;single covalent structures can be used in every case instead of the classical ionic model;covalent bonds and charges positions do not have any relation with the valence number given in the periodic table.
文摘Building on the recent success of the even-odd rule, the present paper explores its implications by studying the very specific case of OXO compounds. These compounds are usually represented with double bonds linking two oxygen atoms to a central atom—as in carbon dioxyde—yet can sometimes be drawn in a triangular structure, such as in calcium dioxyde. Measurement data moreover indicate that most OXO compounds have an angle around 120° between oxygen atoms, although that seems incompatible with triangular representations. The aim here is to unify these commonly admitted representations by linking oxygen atoms through a single bond that is longer than usual covalent bonds: an “elongated bond”. This elongated bond has the interesting effect of suppressing the need for double bonds between oxygen and the central atom. The elongated bond concept is applied to about a hundred of molecules and ions and methodically compared to classical representations. It is shown that this new representation, associated to the even-odd rule, is compatible with all studied compounds and can be used in place of their classical drawings. Its usage greatly simplifies complex concepts like resonance and separated charges in gases. Elongated bonds are also shown to be practicable with the isoelectronic rule as well as isomers, and throughout chemical reactions. This study of an especially long and wide angle bond confirms the versatility of the even-odd rule: it is not limited to compounds with short covalent bonds and can include OO covalent bond lengths of more than 200 pm and with OXO angles above 90°.
文摘The present paper deals with carbon in highly organized solids like graphene and its three-dimensional derivatives: fullerenes, carbon nanotubes and capped carbon nanotubes. It proposes an alternative to the typical bonding pattern exposed in literature. This novel bonding pattern involves alternating positively and negatively charged carbon atoms around hexagonal rings, then a few uncharged and partially bonded atoms close to the pentagon rings. The article focuses on fullerenes inscribed into a regular icosahedron, then addressing the most common fullerenes like C60. Carbon atoms are found to have predominantly three single bonds and less often two separated single </span><span style="font-family:Verdana;">bonds. The same pattern explains equally well carbon nanotubes and closed-tip</span><span style="font-family:Verdana;"> nanotubes, of which C70 is a special case.
文摘Building on the idea that molecules in liquid phase associate into multi-molecular complexes through covalent bonds, the present article focuses on the possible structures of these complexes. Saturation at atomic level is a key concept to understand where connections occur and how far molecules aggregate. A periodic table for liquids with saturation levels is proposed, in agreement with the even-odd rule, for both organic and inorganic elements. With the aim at reaching the most stable complexes, meaning no other chemical reactions can occur in the liquid phase, the structure of complexes resulting from liquefaction of about 30 molecules is devised. The article concludes that complexes in liquids generally assume rounded shapes of an intermediate size between gas and solid structures. It shows that saturation and covalent bonds alone can explain the specific properties of liquids. While it is generally acknowledged that molecular energy in gases and solids are respectively linear kinetic and vibratory, we suggest that rotatory energy dominates in liquids.
