SCIENCE CHINA Chemistry, Volume 61 , Issue 12 : 1619-1623(2018) https://doi.org/10.1007/s11426-018-9316-4

Chlorine-passivated superatom Al37 clusters for nonlinear optics

More info
  • ReceivedMay 7, 2018
  • AcceptedJun 21, 2018
  • PublishedSep 21, 2018


Funded by

the Key Research Program of Frontier Sciences(QYZDB-SSW-SLH024)

the National Natural Science Foundation of China(21722308)

the National Thousand Youth Talents Program.


This work was supported by the Key Research Program of Frontier Sciences (QYZDB-SSW-SLH024), the National Natural Science Foundation of China (21722308) and the National Thousand Youth Talents Program.

Interest statement

The authors declare that they have no conflict of interest.


The supporting information is available online at http://chem.scichina.com and http://link.springer.com/journal/11426. The supporting materials are published as submitted, without typesetting or editing. The responsibility for scientific accuracy and content remains entirely with the authors.


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  • Scheme 1

    (a) A sketch showing the homemade setup for laser ablation of aluminium (LAL) rod in liquid. (b) The customized experimental setup for Z-scan nonlinear optics measurements (color online).

  • Figure 1

    UV/Vis absorption spectra of the as-prepared aluminum clusters (a), with a comparison to that of the commercial Al powders dispersed in CH2Cl2 (b). The inset shows a photograph of the CH2Cl2 solvent, Al powder and the cluster sample (color online).

  • Figure 2

    Typical high-resolution electrospray ionization mass spectra (ESI-MS) of the aluminum clusters, in negative mode, with methanol as the mobile phase (color online).

  • Figure 3

    Millikan charge distribution, electrostatic potential, and frontier molecular orbitals of the neutral clusters Al37 (a) and Al37Cl6 (b) at the pbepbe/tzvp level of theory (color online).

  • Figure 4

    (A) Reaction coordinate for the formation of Al37Cl clusters at the pbepbe/tzvp level of theory. (B) NBO donor-acceptor interactions in Al37-Cl-CH2Cl complex of (a) initial adsorbed state I (b) transition state (TS) (c) desorption product (P). Pink, green, dark grey and light grey atoms refer to Al, Cl, C and H, respectively (color online).

  • Figure 5

    Normalized transmittance of aluminium chloride clusters (~1.17×10−4 mol  dm−3) plotted by Z-scan measurement under the conditions of open aperture (a), and closed aperture (b) conditions, along with the fitted curves (color online).


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