Real Structure of Benzene Molecule and the Thickness of Graphene

The problem of benzene molecular structure has not been solved for more than 100 years. This research proposes a new concept of covalent bond based on the existing theory: each electron shared by multiple atom nuclei corresponds to a half-valent bond. The half-valent bond can be formed between the spacer carbon atoms of the benzene ring. In this way, a new theory was established. Quantum mechanical calculations can quantitatively explain experimental results, such as the hydrogenation heat and ultraviolet spectrum of benzene. Using the dotted line to indicate the half-valent bond, benzene molecular structural forms and chemical reaction formulas as will as its dozens of homologues and derivatives are designed easily. The method not only has a wide range of adaptability, but can also record the chemical reaction process. If several stacked benzene rings can form a benzene tube under the guidance of the new theory, calculated thickness of the three-layer benzene tube is very close to the thickness of graphene. Therefore, referring to other characteristics of graphene, it is considered to be more like a three-layer structure.

Chemical effect on muonic atom formation through muon transfer reaction in benzene and cyclohexane samples

To investigate the chemical effect on the muon capture process through a muon transfer reaction from a muonic hydrogen atom, the formation rate of muonic carbon atoms is measured for benzene and cyclohexane molecules in liquid samples. The muon transfer rate to carbon atoms of the benzene molecule is higher than that to the carbon atoms of the cyclohexane molecule. Such a deviation has never been observed among those molecules for gas samples. This may be because the transfers occur from the excited states of muonic hydrogen atoms in the liquid system, whereas in the gas system, all the transfers occur from the 1s (ground) state of muon hydrogen atoms. The muonic hydrogen atoms in the excited states have a larger radius than those in the 1s state and are therefore considered to be affected by the steric hindrance of the molecular structure. This indicates that the excited states of muonic hydrogen atoms contribute significantly to the chemical effects on the muon transfer reaction.

A new pseudopolymorph of perchlorinated neopentasilane: the benzene monosolvate Si(SiCl3)4·C6H6

A new pseudopolymorph of dodecachloropentasilane, namely a benzene monosolvate, Si5Cl12·C6H6, is described. There are two half molecules of each kind in the asymmetric unit. Both Si5Cl12 molecules are completed by crystallographic twofold symmetry. One of the benzene molecules is located on a twofold rotation axis with two C—H groups located on this rotation axis. The second benzene molecule has all atoms on a general position: it is disordered over two equally occupied orientations. No directional interactions beyond normal van der Waals contacts occur in the crystal.

N-Tosyl-L-proline benzene hemisolvate: a rare example of a hydrogen-bonded carboxylic acid dimer with symmetrically disordered H atoms

The carboxylic acid group is an example of a functional group which possess a good hydrogen-bond donor (–OH) and acceptor (C=O). For this reason, carboxylic acids have a tendency to self-assembly by the formation of hydrogen bonds between the donor and acceptor sites. We present here the crystal structure of N-tosyl-L-proline (TPOH) benzene hemisolvate {systematic name: (2S)-1-[(4-methylbenzene)sulfonyl]pyrrolidine-2-carboxylic acid benzene hemisolvate}, C12H15NO4S·0.5C6H6, (I), in which a cyclic R 2 2(8) hydrogen-bonded carboxylic acid dimer with a strong O—(1 \over 2H)...(1 \over 2H)—O hydrogen bond is observed. The compound was characterized by single-crystal X-ray diffraction and NMR spectroscopy, and crystallizes in the space group I2 with half a benzene molecule and one TPOH molecule in the asymmetric unit. The H atom of the carboxyl OH group is disordered over a twofold axis. An analysis of the intermolecular interactions using the noncovalent interaction (NCI) index showed that the TPOH molecules form dimers due to the strong O—(1 \over 2H)...(1 \over 2H)—O hydrogen bond, while the packing of the benzene solvent molecules is governed by weak dispersive interactions. A search of the Cambridge Structural Database revealed that the disordered dimeric motif observed in (I) was found previously only in six crystal structures.