A study on a new barium (II) cryptate by NMR spectra and molecular dynamics method

Authors
Pan, ZQ Luo, RS Jiang, J Wang, ZL Feng, CJ Luo, QH
Citation
Zq. Pan et al., A study on a new barium (II) cryptate by NMR spectra and molecular dynamics method, SPECT LETT, 31(8), 1998, pp. 1737-1747
Citations number
11
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
SPECTROSCOPY LETTERS
ISSN journal
00387010 → ACNP
Volume
31
Issue
8
Year of publication
1998
Pages
1737 - 1747
Database
ISI
SICI code
0038-7010(1998)31:8<1737:ASOANB>2.0.ZU;2-R
Abstract
The structure and conformation of the complex [BaL](ClO4)(2). MeCN have bee n studied by NMR spectra and molecular dynamics method in CD3CN solution. T he coordination geometry of barium(II) is distorted, tricapped trigonal pri sm. in which the six nitrogen atoms of the imine compose the prism and thre e pyridyl nitrogen atoms are capping atoms forming nine coordinated structu re.