DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electrical Conductance and Thermopower of β-Substituted Porphyrin Molecular Junctions─Synthesis and Transport

Journal Article · · Journal of the American Chemical Society
 [1];  [2]; ORCiD logo [3];  [3]; ORCiD logo [4];  [3]; ORCiD logo [4]; ORCiD logo [3]; ORCiD logo [5];  [6]; ORCiD logo [1]
  1. NanoLund, Lund University, Box 118, 22100 Lund, Sweden, Department of Chemistry, Centre of Analysis and Synthesis, Lund University, Box 121, 22100 Lund, Sweden
  2. Department of Chemistry, Centre of Analysis and Synthesis, Lund University, Box 121, 22100 Lund, Sweden
  3. Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States
  4. Institute of Physics and Centre for Advanced Analytics and Predictive Sciences, University of Augsburg, 86159 Augsburg, Germany
  5. Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States
  6. NanoLund, Lund University, Box 118, 22100 Lund, Sweden, Solid State Physics, Lund University, Box 118, 22100 Lund, Sweden

Not Available

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0004871
OSTI ID:
2203475
Alternate ID(s):
OSTI ID: 2472064
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 43 Vol. 145; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (76)

Synthesis, reactivity and structural chemistry of 5,10,15,20‐tetraalkylporphyrins journal February 1999
Influence of Quantum Interference on the Thermoelectric Properties of Molecular Junctions journal August 2018
Lithiation of the dimer of 3-bromo-6-dimethylamino-1-azafulvene. efficacious synthesis of 4-mono- and 4,5-disubstituted pyrrole-2-carboxaldehydes journal January 1988
The GW -Method for Quantum Chemistry Applications: Theory and Implementation journal December 2012
Ruffling in a Series of Nickel(II) meso-Tetrasubstituted Porphyrins as a Model for the Conserved Ruffling of the Heme of Cytochromes c journal November 1995
Quasi-Particle Self-Consistent GW for Molecules journal May 2016
Extending the Stetter Reaction with 1,6‐Acceptors journal October 2013
Totalsynthese des Chlorophylls journal September 1960
Effects of Orbital Ordering on Electronic Communication in Multiporphyrin Arrays journal November 1997
Porphyrin Studies. IV.1 The Synthesis of α,β,γ,δ-Tetraphenylporphine journal January 1941
Total Synthesis of Hematoporphyrin and Protoporphyrin; a Conceptually New Approach journal April 2013
Synthesis of a porphyrin-2,3-diacrylic acid using a new ‘3 + 1’ type procedure journal January 1994
Interplay of Orbital Tuning and Linker Location in Controlling Electronic Communication in Porphyrin Arrays journal April 1999
Direct Synthesis of Magnesium Porphine via 1-Formyldipyrromethane journal June 2007
Electronic structure and bonding in metal porphyrins, metal=Fe, Co, Ni, Cu, Zn journal July 2002
Molecular Electronics: An Introduction to Theory and Experiment book June 2017
Amine−Gold Linked Single-Molecule Circuits:  Experiment and Theory journal November 2007
Theoretical investigations on the orientational dependence of electron transport through porphyrin molecular wire journal November 2011
Porphyrins as building blocks for single-molecule devices journal January 2021
The Role of Aromaticity and the π‐Conjugated Framework in Multiporphyrinic Systems as Single‐Molecule Switches journal July 2008
A Facile Route to Tripyrrane from 2,5-Bis(hydroxymethyl)pyrrole and the Improved Synthesis of Porphine by the "3 + 1" Approach journal January 1999
Large tunable image-charge effects in single-molecule junctions journal March 2013
High-performance thermoelectricity in edge-over-edge zinc-porphyrin molecular wires journal January 2017
Rational Synthesis of 2-Bromoporphyrins and 2,12-Dibromoporphyrins journal November 2017
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr journal April 1994
Influence of the Chemical Structure on the Stability and Conductance of Porphyrin Single‐Molecule Junctions journal September 2011
Increasing thermoelectric performance using coherent transport journal September 2011
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations journal May 2020
Synthesis of substituted porphyrins journal January 1977
Heat dissipation and its relation to thermopower in single-molecule junctions journal January 2014
Porphyrins with exocyclic rings. Part 9 [1] Synthesis of porphyrins by the ‘3 + 1’ approach journal January 1997
Rothemund and Adler-Longo reactions revisited: synthesis of tetraphenylporphyrins under equilibrium conditions journal March 1987
Electrostatic control of thermoelectricity in molecular junctions journal October 2014
Complete mapping of the thermoelectric properties of a single molecule journal March 2021
Theoretical Investigation on the Electron Transport Path through the Porphyrin Molecules and Chemisorption of CO journal April 2009
Porphyrins meso‐substituted with phenanthrene and 1,10‐phenanthroline journal May 1990
Synthetic Chlorins Bearing Auxochromes at the 3- and 13-Positions journal May 2006
A simplified synthesis for meso-tetraphenylporphine journal February 1967
One-flask synthesis of meso-substituted dipyrromethanes and their application in the synthesis of trans-substituted porphyrin building blocks journal January 1994
Versatile “3 + 1” syntheses of acenaphthoporphyrins, a new family of highly conjugated tetrapyrroles journal July 1996
Simple Methodology for Syntheses of Porphyrins Possessing Multiple Peripheral Substituents with an Element of Symmetry journal January 1996
An improved synthesis of tetramesitylporphyrin journal January 1987
Rational Synthesis of Tripyrranes journal June 2009
Preparation of carboranyl porphyrins for boron neutron capture therapy journal January 1990
Pyrromethanes and Porphyrins Therefrom 1 journal August 1960
Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions journal December 2011
Gate controlling of quantum interference and direct observation of anti-resonances in single molecule charge transport journal February 2019
Control of Single-Molecule Junction Conductance of Porphyrins via a Transition-Metal Center journal August 2014
Synthesis of tetraphenylporphyrins under very mild conditions journal January 1986
Porphyrin synthesis by the “3 + 1” methodology: A superior approach for the preparation of porphyrins with fused 9,10-phenanthroline subunits journal December 1995
Regioselective Syntheses of 2,3,4-Tribromopyrrole and 2,3,5-Tribromopyrrole journal October 2004
5,10,15,20-Tetra-tert-butylporphyrin and Its Remarkable Reactivity in the 5- and 15-Positions journal September 1994
Concise synthesis and structure–activity relationship of furospinosulin-1, a hypoxia-selective growth inhibitor from marine sponge journal September 2011
Perspective: Thermal and thermoelectric transport in molecular junctions journal March 2017
A quantum-dot heat engine operating close to the thermodynamic efficiency limits journal July 2018
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal August 1965
Generalized Gradient Approximation Made Simple journal October 1996
Thermoelectricity in Molecular Junctions journal March 2007
The total synthesis of chlorophyll a journal January 1990
Formation of Porphyrins from Pyrrole and Aldehydes journal October 1935
Structural Aspects of Porphyrins for Functional Materials Applications journal July 2017
Ferrimagnetic ordering of a methylthio-substituted planar porphyrin based electron transfer salt, octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(iii) tetracyanoethanide journal January 2000
Cluster-based density-functional approach to quantum transport through molecular and atomic contacts journal December 2008
142. Chlorophyll and related compounds. Part VI. The synthesis of octaethylchlorin journal January 1957
Synthesis of Locked meso-β-Substituted Chlorins via 1,3-Dipolar Cycloaddition journal August 2006
Syntheses and Functionalizations of Porphyrin Macrocycles journal April 2014
The role of frontier molecular orbital ordering on electronic communication in porphyrin arrays journal February 2002
Unravelling the conductance path through single-porphyrin junctions journal January 2019
Octaethylporphyrin journal May 1968
Barriers to rotation of axially coordinated imidazole ligands in nonplanar meso-tetraalkylporphyrinato-cobalt(III) complexes journal September 1997
The first isolation of unsubstituted porphyrinogen and unsubstituted 21-oxaporphyrinogen by the ‘3+1’ approach from 2,5-bis(hydroxymethyl)pyrrole and tripyrrane derivatives journal March 2001
Porphyrin Synthesis by the “3+1” Approach: New Applications for an Old Methodology journal October 1996
Field-Effect Control of Graphene–Fullerene Thermoelectric Nanodevices journal October 2017
Anti-resonance features of destructive quantum interference in single-molecule thiophene junctions achieved by electrochemical gating journal February 2019
Bromination and chlorination of pyrrole and some reactive 1-substituted pyrroles journal May 1981
Electrical properties and mechanical stability of anchoring groups for single-molecule electronics journal July 2015