A new topological index for the Changchun institute of applied chemistry C-13 NMR information system

A method to assign a single number representation for each atom (node) in a molecular graph, Atomic IDentification (AID) number, is proposed based on the counts of weighted paths terminated on that atom. Then, a new topological index, Molecular IDentification (MID) number is developed from AID. The MID is tested systematically, over half a million of structures are examined, and MID shows high discrimination for various structural isomers. Thus it can be used for documentation in the Changchun Institute of Chemistry C-13 NMR information system.

Gas-phase Ion-molecular Reactions of C-60 and C-70 with Acetone and Quantum Chemistry Study

Gas-phase ion-molecular reactions of C-60 and C-70 with the ion system of acetone have been studied in this paper. The ions of protoned and acetylized C-60 and C-70 were formed by the reactions of C-60 and C-70 with some ions which existed in the ion system when mass spectrometer worked on chemical ionization conditions. The reactivity of C-70 is greater than that of C-60. Results of quantum chemical calculation for the adduct ions showed a sigma bond between the acyl carbon atom and C-60 may be Formed. These results will provide some valuable informations on the condense-phase acetylization of C-60.

PHASE-TRANSFER CHEMISTRY OF HETEROPOLYANIONS .1. RESEARCH ON SOLVATION BEHAVIOR OF SUBSTITUTED KEGGIN AND DAWSON ANIONS IN THE NONPOLAR-SOLVENTS

The heteropolyanions of the Keggin structure ZW(11)O(39)M(H2O)(n-)(Z = Si, Ge, P; M = Ni2+, Cu2+, Cr3+, Co2+, n = 4 similar to 6) and Dawson structure P(2)W(17)O(61)M(H2O)(n-)(M = Ni2+, Cu2+, Cr3+, Co2+, n = 7, 8) have been transferred into the non-polar

SURFACE MODIFICATION OF ELECTRODES FOR AMPEROMETRIC BIOSENSORS IN ANALYTICAL-CHEMISTRY

Amperometric biosensors based on surface modifications of electrodes are described. Cobalt porphyrins modified on glassy carbon and carbon fiber electrodes can greatly decrease the overpotential and increase the sensitivity of detection due to EC electroc

ADVANCED ELECTROANALYTICAL CHEMISTRY IN CHINA .1. GENERAL ASPECT AND SOME METHODOLOGIES

The Research on Electroanalytical chemistry in China started mainly from the beginning of new China in 1949. It has already good basis and development nowadays. A review with references to the end of seventies has been published in "Reviews in Analytical Chemistry" 1) and in a book titled "Fifty years of Chinese Chemistry" edited by the Chinese Chemical Society in 1985 2). Since then more than thousand papers have been published, and it is impossible and also not necessary to describe all of them. This review only deals with the main progress of electroanalytical chemistry in China in recent years. Some new developed methodologies will be reviewed by S. Dong in the next article.

COORDINATION CHEMISTRY AND SUPERCONDUCTIVITY

Analysing the coordination state of copper ions in cuprate superconductors, it is found that the larger the energy splitting between d(x2-y2) and d(z2) orbitals of Cu or the higher the energy of the d(x2-y2) orbital, the higher the Tc. Thus, appropriate coordination structures and strong-field ligands must be chosen for expanding the energy splitting and increasing the energy of the d(x2-y2) orbital when searching for new high-Tc superconductors. Summarizing the experimental results of ESR and XPS, it is considered that the [Cu2+ - O open-square-box 2- - Cu3+] resonance exists in cuprate superconductors and the electron field breathing mode is present. Analysing the mechanism and the relationship between the coordination state of Cu and Tc, we consider that the two dimensional Cu-O planes are responsible for the superconductivity of YBa2Cu3O7-y.

A STUDY ON CH5O+ IONS IN GAS PHASE CID EYPERIMENT AND QUANTUM CHEMISTRY CALCULATION

The structures of CH5O+ from two different reactions which are protonation of CH3OH from the above two pathways possess the same structures, CH3OH2+. The value of kinetic energy release for the metastable decomposition CH2OH3+-> CH2OH+ + H-2 determined from the experiment is in good agreement with that from theoretical calculations. The transition state of above reaction were disscussed.