Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions

Literature Information

Publication Date 2015-10-30
DOI 10.1039/C5CP05423K
Impact Factor 3.676
Authors

Tomofumi Tada, Kazunari Yoshizawa


View Original

Abstract

In this study, we report our viewpoint of single molecular conductance in terms of frontier orbitals. The orbital rule derived from orbital phase and amplitude is a powerful guideline for the qualitative understanding of molecular conductance in both theoretical and experimental studies. The essence of the orbital rule is the phase-related quantum interference, and on the basis of this rule a constructive or destructive pathway for electron transport is easily predicted. We have worked on the construction of the orbital rule for more than ten years and recently found from its application that π-stacked molecular junctions fabricated experimentally are in line with the concept for conductance-decay free junctions. We explain the orbital rule using benzene molecular junctions with the para-, meta- and ortho-connections and discuss linear π-conjugated chains and π-stacked molecular junctions with respect to their small decay factors in this manuscript.

Related Literature

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

Francesc Viñes, Jose A. Rodriguez, Francesc Illas

2013-05-29 Paper

DOI: 10.1039/C3CP51389K

Large scale preparation of graphenequantum dots from graphite with tunable fluorescence properties

Yiqing Sun, Shiqi Wang, Chun Li, Peihui Luo, Lei Tao, Yen Wei, Gaoquan Shi

2013-04-24 Paper

DOI: 10.1039/C3CP50691F

Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

J. Inkinen, K. O. Ruotsalainen, T. Pylkkänen, J. Niskanen, S. Galambosi, M. Hakala, G. Monaco, K. Hämäläinen

2013-05-08 Paper

DOI: 10.1039/C3CP50512J

Faster nucleation at lower pH: amorphous phase mediated nucleation kinetics

Haihua Pan, Yin-Jia Zhang, Ruikang Tang

2013-06-04 Communication

DOI: 10.1039/C3CP51466H

Crystallization kinetics of lithium niobate glass: determination of the Johnson–Mehl–Avrami–Kolmogorov parameters

H. W. Choi, Y. H. Kim, Y. H. Rim, Y. S. Yang

2013-04-19 Paper

DOI: 10.1039/C3CP50909E

Membrane disordering is not sufficient for membrane permeabilization by islet amyloid polypeptide: studies of IAPP(20–29) fragments

Jeffrey R. Brender, Deborah L. Heyl, Shyamprasad Samisetti, Samuel A. Kotler, Joshua M. Osborne, Ranadheer R. Pesaru, Ayyalusamy Ramamoorthy

2013-03-01 Paper

DOI: 10.1039/C3CP44696D

Contents list

Front/Back Matter

DOI: 10.1039/C3CP90066E

Protons crossing triple phase boundaries based on a metal catalyst, Pd or Ni, and barium zirconate

Massimo Malagoli, M. L. Liu, Hyeon Cheol Park, Angelo Bongiorno

2013-06-07 Communication

DOI: 10.1039/C3CP51863A

Alzheimer's disease: which type of amyloid-preventing drug agents to employ?

Hyunbum Jang, Laura Connelly, Fernando Teran Arce, Srinivasan Ramachandran, Ratnesh Lal, Bruce L. Kagan

2013-02-21 Perspective

DOI: 10.1039/C3CP00017F

You might also like

Compound Q&A

What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?

1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?

Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?

Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?

Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?

9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?

1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?

Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.