Related Experiment Video
Updated: Sep 17, 2025

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
Published on: June 25, 2018
Orbital Hybridization of π-Conjugated Ligands with Atomically Precise Metal Clusters for Enhanced Two-Photon
Masanori Sakamoto1,2, Yoshiyuki Mizuhata2, Wataru Ota3,4,5
1SANKEN (The Institute of Scientific and Industrial Research), The University of Osaka, 8-1, Mihogaoka, Ibaraki, Osaka 567-0047, Japan.
Abstract:
The nonlinear optical phenomenon of two-photon absorption (TPA) has numerous applications in scientific fields. However, designing materials with efficient TPA that meet the technical requirements is challenging. The fundamental optical properties of a material depend on its density of states (DOS). In this study, we achieved efficient TPA by controlling the DOS via tuning the orbital energy levels of gold clusters and molecular ligands. We synthesized Au36(NP)24 with an atomically precise Au36 core and 24 naphthalenethiol (NP) ligands and evaluated the orbital hybridization effect on the TPA cross-section, σ(2), of 6000 GM under 800 nm excitation. The synthesized Au36(NP)24 exhibited a considerably high σ(2), originating from the DOS, suitable for near-double resonance enhancement because of the hybridization between the Au36 and (NP)24 orbitals. This orbital hybridization approach between functional molecules and a metal kernel provides a versatile design strategy for tuning the DOS of materials for various purposes including nonlinear optics.
More Related Videos
Related Concept Videos
Valence Bond Theory
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Hybridization of Atomic Orbitals I
Hybridization of Atomic Orbitals II
Valence Bond Theory and Hybridized Orbitals
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

