Synthesis, crystal structure and quantum chemical calculations of [Ge(OH)(Hcdta)center dot H2O (H(4)cdta = trans-cyclohexane-1,2-diaminetetraacetic acid)

Authors
Chen, MD Zhu, J Hu, SZ
Citation
Md. Chen et al., Synthesis, crystal structure and quantum chemical calculations of [Ge(OH)(Hcdta)center dot H2O (H(4)cdta = trans-cyclohexane-1,2-diaminetetraacetic acid), MAIN GR MET, 22(2), 1999, pp. 105-109
Citations number
26
Categorie Soggetti
Chemistry
Journal title
MAIN GROUP METAL CHEMISTRY
ISSN journal
07921241 → ACNP
Volume
22
Issue
2
Year of publication
1999
Pages
105 - 109
Database
ISI
SICI code
0792-1241(199902)22:2<105:SCSAQC>2.0.ZU;2-F
Abstract
[Ge(OH)(Hcdta)]. H2O was prepared directly from GeO2 and H(4)cdta in reflux ed H2O and identified with X-ray single-crystal structure determination. Th e structure is featured by cdta serving as a pentadentate ligand with one a cetate group freed from coordination, and with the sixth site occupied by a hydroxo group, forming an octahedral and electrically neutral complex. Thi s novel structure is rationalized in terms of bonding energy and atom to at om overlap population by the quantum chemical calculations.