Aluminum Zintl anion moieties within sodium aluminum clusters

Publikationstyp: Zeitschriftenartikel
Autor/innen: Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Grubisic, Andrej; Li, Xiang; Ganteför, Gerd; Schnöckel, Hansgeorg; Eichhorn, Bryan W.; Lee, Mal-Soon; Jena, Purusottam; Kandalam, Anil K.; Kiran, Boggavarapu; Bowen, Kit H.
Erscheinungsjahr: 2014
Erschienen in: The Journal of Chemical Physics ; 140 (2014), 5. - 054301. - ISSN 0021-9606. - eISSN 1089-7690
Pubmed ID: 24511934
DOI (zitierfähiger Link): https://dx.doi.org/10.1063/1.4862989
Zusammenfassung:
Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium-aluminum cluster anions, NamAln-, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.
Fachgebiet (DDC): 530 Physik
Universitätsbibliographie: Ja

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WANG, Haopeng, Xinxing ZHANG, Yeon Jae KO, Andrej GRUBISIC, Xiang LI, Gerd GANTEFÖR, Hansgeorg SCHNÖCKEL, Bryan W. EICHHORN, Mal-Soon LEE, Purusottam JENA, Anil K. KANDALAM, Boggavarapu KIRAN, Kit H. BOWEN, 2014. Aluminum Zintl anion moieties within sodium aluminum clusters. In: The Journal of Chemical Physics. 140(5), 054301. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4862989

@article{Wang2014Alumi-30879, title={Aluminum Zintl anion moieties within sodium aluminum clusters}, year={2014}, doi={10.1063/1.4862989}, number={5}, volume={140}, issn={0021-9606}, journal={The Journal of Chemical Physics}, author={Wang, Haopeng and Zhang, Xinxing and Ko, Yeon Jae and Grubisic, Andrej and Li, Xiang and Ganteför, Gerd and Schnöckel, Hansgeorg and Eichhorn, Bryan W. and Lee, Mal-Soon and Jena, Purusottam and Kandalam, Anil K. and Kiran, Boggavarapu and Bowen, Kit H.}, note={Article Number: 054301} }

Jena, Purusottam Jena, Purusottam Zhang, Xinxing Ganteför, Gerd 2015-05-05T09:47:18Z Ko, Yeon Jae Aluminum Zintl anion moieties within sodium aluminum clusters Li, Xiang Ganteför, Gerd Wang, Haopeng Grubisic, Andrej Eichhorn, Bryan W. Bowen, Kit H. 2015-05-05T09:47:18Z Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium-aluminum cluster anions, Na<sub>m</sub>Al<sub>n</sub><sup>-</sup>, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams. Schnöckel, Hansgeorg Kandalam, Anil K. Kandalam, Anil K. Eichhorn, Bryan W. Ko, Yeon Jae Lee, Mal-Soon Schnöckel, Hansgeorg 2014 eng Kiran, Boggavarapu Bowen, Kit H. Lee, Mal-Soon Kiran, Boggavarapu Li, Xiang Wang, Haopeng Grubisic, Andrej Zhang, Xinxing

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