2026-10-06T17:37:53Z
https://api.figshare.com/v2/oai
oai:figshare.com:article/34046346
2026-10-01T14:27:18Z
category_1
category_4
category_7
category_12
category_14
category_16
category_24
category_873
category_502
category_931
category_62
category_64
portal_63
item_type_6
month_year_10_2026
Observation of Orbital-Resolved
Conductance in a Single-Molecule
Metal–Metal Interaction Channel
Mingyao Li (186444)
Weilin Hu (238926)
Shan Jiang (121292)
Jie Hao (665956)
Boyu Wang (383447)
Xuemin Zhao (740859)
Ningru Wang (25156992)
Yiru Bai (25156995)
Yanwei Li (167076)
Yong Chen (109188)
Xuefeng Guo (444915)
Biophysics
Biochemistry
Medicine
Cell Biology
Molecular Biology
Physiology
Evolutionary Biology
Chemical Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Information Systems not elsewhere classified
Marine Biology
Cancer
govern material properties
different angular components
utilizing metallophilic interactions
unique metallophilic interactions
diverse molecular configurations
></ sub >–
metal atomic orbitals
weak interactions
intermolecular interactions
sub ><
molecular engineering
molecular electronics
z </
xy </
work uncovers
underlying mechanism
theoretical calculations
resolved conductance
research scope
pivotal category
molecule junctions
inherently subtle
fundamental characteristics
distinct overlaps
dependent measurements
delicate nature
covalent bonds
>< sup
The exploration of unique metallophilic interactions,
a pivotal
category of intermolecular interactions that govern material properties
and reactivity, is crucial for deciphering the role of metal atomic
orbitals in their formation and uncovering their fundamental characteristics.
However, due to their inherently subtle and delicate nature, these
interactions remain exceptionally challenging to detect and characterize.
Here, we present a method of utilizing metallophilic interactions
to build stable graphene–molecule–graphene single-molecule
junctions through molecular engineering. Real-time electrical measurements
reveal that the metal atomic orbital contributions in various metal–metal
interactions originate from the hybridization of different angular
components of intermetallic d and s orbitals (d<sub><i>z</i><sup>2</sup></sub>–s/d<sub><i>xy</i></sub>–s),
a conclusion further corroborated by theoretical calculations. Distinct
overlaps between intermetallic orbitals give rise to diverse molecular
configurations, leading to corresponding orbital-resolved conductance.
Furthermore, we establish the relationship between the orbital interaction
and experimental transition activation energy through counterion-
and metal-dependent measurements. This work uncovers the underlying
mechanism of metal–metal interactions, bridges the gap between
covalent bonds and weak interactions, and extends the research scope
of molecular electronics.
2026-10-01T00:00:00Z
Text
Journal contribution
10.1021/jacs.6c13182.s001
https://figshare.com/articles/journal_contribution/Observation_of_Orbital-Resolved_Conductance_in_a_Single-Molecule_Metal_Metal_Interaction_Channel/34046346
CC BY-NC 4.0