PMID- 32367099
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200514
IS  - 2040-3372 (Electronic)
IS  - 2040-3364 (Linking)
VI  - 12
IP  - 18
DP  - 2020 May 14
TI  - Enhanced charge transport via d(delta)-p(pi) conjugation in Mo(2)-integrated 
      single-molecule junctions.
PG  - 10320-10327
LID - 10.1039/d0nr00195c [doi]
AB  - A trans-dimolybdenum nicotinate (m-Mo2) complex and its isonicotinate isomer 
      (p-Mo2) were synthesized and characterized crystallographically, and their 
      single-molecule charge transport properties were investigated using the STM break 
      junction (STM-BJ) technique. With a quadruply bonded Mo2 complex unit integrated 
      into molecular backbones, the single-molecule conductance for complex molecules 
      was increased by more than one order of magnitude compared with that of the 
      organic pi-conjugated analogues 1,4-bis(4-pyridyl)benzene (p-Ph) and 
      1,4-bis(3-pyridyl)benzene (m-Ph). More interestingly, unlike m-Ph, m-Mo2 with 
      meta connected pyridyl anchors presents larger conductance than that of p-Mo2 
      with two para connected pyridyl groups. DFT-based transmission calculations 
      revealed that the significant conductance enhancement of Mo2 molecules originates 
      from the largely reduced HOMO-LUMO gap, and the unique d(delta)-p(pi) conjugation 
      between the Mo2 unit and the pyridine rings gives rise to a delocalized 
      electronic structure that endows the Mo2 molecules with an unexpected high 
      conductance.
FAU - Meng, Miao
AU  - Meng M
AD  - Department of Chemistry, Jinan University, 601 Huang-Pu Avenue West, Guangzhou 
      510632, China. tcyliu@jnu.edu.cn.
FAU - Tang, Zheng
AU  - Tang Z
FAU - Mallick, Suman
AU  - Mallick S
FAU - Luo, Ming Hui
AU  - Luo MH
FAU - Tan, Zhibing
AU  - Tan Z
FAU - Liu, Jun-Yang
AU  - Liu JY
FAU - Shi, Jia
AU  - Shi J
FAU - Yang, Yang
AU  - Yang Y
FAU - Liu, Chun Y
AU  - Liu CY
FAU - Hong, Wenjing
AU  - Hong W
LA  - eng
PT  - Journal Article
PL  - England
TA  - Nanoscale
JT  - Nanoscale
JID - 101525249
SB  - IM
EDAT- 2020/05/06 06:00
MHDA- 2020/05/06 06:01
CRDT- 2020/05/06 06:00
PHST- 2020/05/06 06:00 [pubmed]
PHST- 2020/05/06 06:01 [medline]
PHST- 2020/05/06 06:00 [entrez]
AID - 10.1039/d0nr00195c [doi]
PST - ppublish
SO  - Nanoscale. 2020 May 14;12(18):10320-10327. doi: 10.1039/d0nr00195c.