1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: The role of 4f electrons
Rent:
Rent this article for
USD
10.1063/1.4801787
/content/aip/journal/jcp/138/16/10.1063/1.4801787
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/16/10.1063/1.4801787

Figures

Image of FIG. 1.
FIG. 1.

PIE spectra of M(COT) [M = Ce (a), Pr (b), and Nd (c)] seeded in He carrier gas at 80 psi. The ionization threshold of each complex is located by the intersecting point of two lines as pointed by the arrow.

Image of FIG. 2.
FIG. 2.

Experimental ZEKE spectrum of Ce(COT) seeded in He (a), the sum of the simulations (b), and simulations (300 K) of the 2E13E1 (c), 2A13A1 (d), and 2E33E3 (e) transitions.

Image of FIG. 3.
FIG. 3.

Experimental ZEKE spectrum of Pr(COT) seeded in He (a), and simulations (300 K) (b) of (red), (green), and (blue) transitions. The sharp peaks marked by asterisks are from atomic transitions.

Image of FIG. 4.
FIG. 4.

Experimental ZEKE spectrum of Nd(COT) seeded in He (a) and simulations (300 K) (b) of (red), (pink), (blue), and 4C ← 5C (green) transitions. The sharp peaks marked by asterisks are from atomic transitions.

Tables

Generic image for table
Table I.

ZEKE band positions (cm−1) and assignments of Ce(COT). represents vibronic transitions between the n and m levels of the Ce-COT stretching mode in the neutral and ion states.

Generic image for table
Table II.

Electronic states, Ce-based valence electron configurations, relative electronic energies (Ee, cm−1), electronic energies with vibrational zero-point energy corrections (E0, cm−1), Ce–C bond lengths (RCe–C, Å), and Ce-COT stretching frequencies (νs, cm−1) of the Ce(COT) (C8v) complex from CCSD(T)//MP2 calculations.

Generic image for table
Table III.

Electron configurations a and electronic states of Pr(COT) (4f 26s 1) and Nd (COT) (4f 36s 1) in C8v point group.

Generic image for table
Table IV.

ZEKE band positions (cm−1) and assignments of Pr(COT). represents vibronic transitions between the n and m levels of the Pr-COT stretching modes in the neutral and ion states.

Generic image for table
Table V.

ZEKE band positions (cm−1) and assignments of Nd(COT). represents vibronic transitions between the n and m levels of the Nd-COT stretching modes in the neutral and ion.

Loading

Article metrics loading...

/content/aip/journal/jcp/138/16/10.1063/1.4801787
2013-04-23
2014-04-17
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: The role of 4f electrons
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/16/10.1063/1.4801787
10.1063/1.4801787
SEARCH_EXPAND_ITEM