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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Tong, Yi-Ping Lin, Yan-Wen |
| Description | Country affiliation: China Author Affiliation: Tong YP ( Department of Chemical Engineering, Huizhou University, Huizhou 516007, China. typ2469@163.com) |
| Abstract | Two Ga(III) complexes with main ligand, 2-(2-hydroxyphenyl)benzothiazole (HL'), namely mixed-ligand ML2X-type [GaL'2X'] (1) (HX'=acetic acid, as ancillary ligand) and the meridianal tris-chelate [GaL'3] (2) have been investigated by the density functional theory (DFT/TDDFT) level calculations. Both 1 and 2 can be presented as a similar 'mixed-ligand ML2X-type' species. The molecular geometries, electronic structures, metal-ligand bonding property of Ga-O (N) (main ligand), Ga-O (N) (ancillary ligand) interactions, and the ancillary ligand effect on their HOMO-LUMO gap, their absorption/emission property, and their absorption/emission wavelengths/colors for them have been discussed in detail based on the orbital interactions, the partial density of states (PDOS), and so on. The current investigation also indicates that it is quite probable that by introduction of different ancillary ligands, a series of new mixed-ligand ML2X-type complexes for group 13 metals can be designed with their absorption/emission property and the absorption/emission wavelengths and colors being tuned. |
| ISSN | 13861425 |
| Issue Number | 2 |
| Volume Number | 78 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2011-02-01 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Benzothiazoles Chemistry Chelating Agents Electrons Gallium Models, Chemical Molecular Conformation Organometallic Compounds Phenols Absorption Ligands Spectrophotometry, Ultraviolet Thermodynamics Comparative Study Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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