摘要:

A detailed description of how the electron cloud holds the various nuclei of a molecule together has for many years been the objective of the chemist, since this is fundamental to his subject and essential to its progress. The difficulties of acquiring this knowledge have now been largely overcome with the development of the technique of photoelectron spectroscopy. Using monoenergetic photon sources, such as the emission line of helium at 58.4 nm (21.22 eV), outer electrons can be ejected and their binding energies measured (EB=hv—½mv2). Thus a quantitative description of the electronic environment of the nuclear framework is available for relating the electrical to the chemical properties of a molecule.

ISSN:0144-235X    

DOI:10.1080/01442358109353240

出版商:Taylor & Francis Group    

年代:1981

数据来源: Taylor

摘要:

In the first part of this review ion pairs formed by an alkali cation and an organic paramagnetic anion in ethanol solutions are considered. The molecular potential generated by the charge distribution of the anion is calculated within the electrostatic approximation for a number of aromatic derivatives, most of which contain nitro-groups. From the corresponding maps the most favourable positions for the cations are obtained and the results are compared with information obtainable from ESR spectra of the ion pairs and free anions. In the second part, the dissociation of CH3F and C6H5N+2in water is studied by means of a supermolecule model in the frame of the CNDO MO theory. The results are in line with kinetic data and other experimental evidence.

ISSN:0144-235X    

DOI:10.1080/01442358109353241

出版商:Taylor & Francis Group    

年代:1981

数据来源: Taylor

摘要:

Electron energy loss spectroscopy (EELS) has become a very important tool in the study of the surface chemistry of solids. Besides providing information on the vibrational spectra of adsorbed molecules, EELS (with primary electrons of low energy, ≤5 eV) also throws light on metal-ligand vibrations. The vibrational spectra from EELS are useful in understanding gas-solid interactions and the nature of the molecular species such as the state of hybridization of orbitals in hydrocarbon fragments bound to the surface. By employing primary electrons of higher energies (30–300 eV), electronic excitations of adsorbed molecules as well as the adsorbents themselves can be fruitfully studied. This article describes the up-to-date status of EELS in the study of adsorbed molecules and surveys all the important literature data and correlations.

ISSN:0144-235X    

DOI:10.1080/01442358109353242

出版商:Taylor & Francis Group    

年代:1981

数据来源: Taylor

摘要:

C. J. Ballhausen.Molecular Electronic Structures of Transition Metal Complexes. New York: McGraw-Hill, 1979. 207 pp. ISBN 0-07-003495-8.

ISSN:0144-235X    

DOI:10.1080/01442358109353243

出版商:Taylor & Francis Group    

年代:1981

数据来源: Taylor

ISSN:0144-235X    

DOI:10.1080/01442358109353239

出版商:Taylor & Francis Group    

年代:1981

数据来源: Taylor