Molecular potentials are unreadable and unaddressable by any present technology. It is known that the proper assembly of molecules can implement an entire numerical processing system based on digital or even analogical computation. In turn, the outputs of this molecular processing unit need to be amplified in order to be useful. We have developed a nanomicrointerface to read information encoded in molecular level potentials and to amplify this signal to microelectronic levels. The amplification is performed by making the output molecular potential slightly twist the torsional angle between two rings of a pyridazine, 3,6-bis(phenylethynyl) (aza-OPE) molecule, requiring only fractions of kcal/mol energies. In addition, even if the signal from the molecular potentials is not enough to turn the ring or even if the angles are the same for different combinations of outputs, still the current output yields results that resemble the device as a field effect transistor, providing the possibility to reduce channel lengths to the range of just 1 or 2nm. The slight change in the torsional angle yields readable changes in the current through the aza-OPE biased by an external applied voltage. Using ab initio methods, we computationally demonstrate the amplification of molecular potential signals into currents that can be read by standard circuits.

1.
G.
Binning
and
H.
Rohrer
,
Helv. Phys. Acta
55
,
726
(
1982
).
2.
A. S.
Blum
,
J. G.
Kushmerick
,
D. P.
Long
,
C. H.
Patterson
,
J. C.
Yang
,
J. C.
Henderson
,
Y.
Yao
,
J. M.
Tour
,
R.
Shashidhar
, and
B. R.
Ratna
,
Nature (London)
4
,
167
(
2005
).
3.
K.
Ariga
,
J. P.
Hill
, and
H.
Endo
,
Int. J. Mol. Sci.
8
,
864
(
2007
).
4.
J.
Von Neumann
,
La Vie Artificielle
, edited by
A.
Burks
(
University of Illinois Press
,
Champaign, IL
,
1966
).
5.
S.
Wolfram
,
Nature (London)
311
,
419
(
1984
).
7.
P.
Politzer
and
J.
Murray
,
Reviews in Computational Chemistry
, edited by
K. B.
Lipkowitz
and
D. B.
Boyd
(
VCH
,
New York
,
1991
), Vol.
2
, pp.
273
312
.
8.
E.
Scrocco
and
J.
Tomasi
,
Adv. Quantum Chem.
11
,
115
(
1978
).
9.
E.
Scrocco
and
J.
Tomasi
,
Top. Curr. Chem.
42
,
95
(
1973
).
10.
S. I.
Valia Dimitrova
and
B.
Galabov
,
J. Phys. Chem. A
106
,
11801
(
2002
).
11.
P. L.
Geerlings
,
W.
Langenaeker
,
F.
De Proft
, and
A.
Baeten
,
Molecular Electrostatic Potentials—Concepts and Applications
,
Theoretical and Computational Chemistry
Vol.
3
, edited by
J. S.
Murray
and
K.
Sen
(
Elsevier
,
New York
,
1990
), p.
587
617
.
12.
A. M.
Robbins
,
P.
Jin
,
T.
Brinck
,
J. S.
Murray
, and
P.
Politzer
,
Int. J. Quantum Chem.
106
,
2904
(
2006
).
13.
P.
Politzer
and
J. M.
Seminario
,
J. Phys. Chem.
93
,
4742
(
1989
).
14.
N. R.
Dhumal
,
U. N.
Patil
, and
S. P.
Gejji
,
J. Chem. Phys.
120
,
749
(
2004
).
15.
J. S.
Murray
,
P.
Lane
, and
P.
Politzer
,
Mol. Phys.
93
,
187
(
1998
).
16.
X.-L.
Cheng
,
K.-M.
Wang
,
H.
Zhang
, and
X.-d.
Yang
,
Institute of Atomic and Molecular Physics
19
,
94
(
2002
).
17.
P.
Politzer
and
J. S.
Murray
,
J. Mol. Struct.
376
,
419
(
1996
).
18.
J. M.
Seminario
,
L.
Yan
, and
Y.
Ma
,
Chemical and Biological Standoff Detection III
, edited by
J. O.
Jensen
and
J. M.
Theriault
(
SPIE
,
Bellingham, WA
,
2005
), Vol.
5995
, pp.
230
244
.
19.
Z. L.
Hao Hu
and
W.
Yang
,
J. Chem. Theory Comput.
3
,
1004
(
2007
).
20.
C. M. S. G. G.
Hall
,
Int. J. Quantum Chem.
25
,
881
(
1984
).
21.
R. V.
Pinjari
,
K. A.
Joshi
, and
S. P.
Gejji
,
J. Phys. Chem. A
110
,
13073
(
2006
).
22.
J. M.
Tour
,
M.
Kosaki
, and
J. M.
Seminario
,
J. Am. Chem. Soc.
120
,
8486
(
1998
).
23.
J. M.
Tour
,
M.
Kozaki
, and
J. M.
Seminario
, “
Use of Molecular Electrostatic Potential for Molecular Scale Computation
,” U.S. Patent No. 6,259,277 (7/10/2001).
24.
L.
Yan
and
J. M.
Seminario
,
Int. J. Quantum Chem.
106
,
1964
(
2006
).
25.
J. M.
Seminario
and
L.
Yan
,
Int. J. Quantum Chem.
107
,
754
(
2007
).
26.
J. M.
Seminario
,
L.
Yan
, and
Y.
Ma
,
Proc. IEEE
5
,
65
(
2005
).
27.
J. M.
Seminario
,
L.
Yan
, and
Y.
Ma
,
Proc. IEEE
93
,
1753
(
2005
).
28.
J. M.
Seminario
,
L. E.
Cordova
, and
P. A.
Derosa
,
Proc. IEEE
91
,
1958
(
2003
).
29.
J. M.
Seminario
,
A. G.
Zacarias
, and
J. M.
Tour
,
J. Am. Chem. Soc.
120
,
3970
(
1998
).
30.
J. M.
Seminario
,
J. Phys. B
40
,
F275
(
2007
).
31.
J. M.
Seminario
and
L.
Yan
,
Int. J. Quantum Chem.
102
,
711
(
2005
).
32.
J. M.
Seminario
,
A. G.
Zacarias
, and
J. M.
Tour
,
J. Phys. Chem. A
103
,
7883
(
1999
).
33.
G.-B.
Xu
and
Q.-X.
Xu
,
Dianzi Qijian, Institute of Microelectronics, Chinese Academy of Sciences
30
,
1194
(
2007
).
34.
C.
Lee
,
D. S.
Choi
,
H. R.
Park
,
C. S.
Kim
, and
K. L.
Wang
,
J. Korean Phys. Soc.
39
,
S442
(
2001
).
36.
C.
Yang
,
Z.
Zhong
, and
C. M.
Lieber
,
Science
310
,
1304
(
2005
).
37.
D. A. B.
Yuan Taur
,
W.
Chen
,
D. J.
Frank
,
K. E.
Ismail
,
S.-H.
Lo
,
G. A.
Sai-Halasz
,
R. G.
Viswanathan
,
H.-J. C.
Wann
,
S. J.
Wind
, and
H.-S.
Wong
,
Proc. IEEE
85
,
486
(
1997
).
38.
G. E.
Moore
,
Electronics
38
,
114
(
1965
).
39.
J. M.
Seminario
and
P. A.
Derosa
,
J. Am. Chem. Soc.
123
,
12418
(
2001
).
40.
N. L.
Rangel
and
J. M.
Seminario
,
J. Phys. Chem. A
110
,
12298
(
2006
).
41.
A. D.
Becke
,
J. Chem. Phys.
97
,
9173
(
1992
).
42.
J. P.
Perdew
,
J. A.
Chevary
,
S. H.
Vosko
,
K. A.
Jackson
,
M. R.
Pederson
,
D. J.
Singh
, and
C.
Fiolhais
,
Phys. Rev. B
46
,
6671
(
1992
).
43.
J. P.
Perdew
and
Y.
Wang
,
Phys. Rev. B
45
,
13244
(
1992
).
44.
M. J.
Frisch
,
J. A.
Pople
, and
J. S.
Binkley
,
J. Chem. Phys.
80
,
3265
(
1984
).
45.
W. R.
Wadt
and
P. J.
Hay
,
J. Chem. Phys.
82
,
284
(
1985
).
46.
P. J.
Hay
and
W. R.
Wadt
,
J. Chem. Phys.
82
,
299
(
1985
).
47.
P. J.
Hay
and
W. R.
Wadt
,
J. Chem. Phys.
82
,
270
(
1985
).
48.
M. J.
Frisch
,
G. W.
Trucks
,
H. B.
Schlegel
 et al., GAUSSIAN-2003, revision C.2, Gaussian, Inc., Pittsburgh, PA,
2003
.
49.
P.
Politzer
and
D. G.
Truhlar
,
Chemical Applications of Atomic and Molecular Electrostatic Potentials
, (
Plenum
,
New York
,
1981
).
50.
P.
Politzer
and
H.
Weinstein
,
J. Chem. Phys.
71
,
4218
(
1979
).
51.
P.
Politzer
and
J. M.
Seminario
,
Struct. Chem.
1
,
29
(
1989
).
52.
P.
Hohenberg
and
W.
Kohn
,
Phys. Rev. B
136
,
864
(
1964
).
53.
W.
Kohn
and
L. J.
Sham
,
Phys. Rev. A
140
,
1133
(
1965
).
54.
L. J.
Sham
and
W.
Kohn
,
Phys. Rev.
145
,
561
(
1966
).
55.
L.
Yan
and
J. M.
Seminario
,
Int. J. Quantum Chem.
107
,
440
(
2007
).
56.
L.
Yan
,
E. J.
Bautista
, and
J. M.
Seminario
,
Nanotechnology
18
,
485701
(
2007
).
57.
J. A.
Sotelo
,
L.
Yan
,
M.
Wang
, and
J. M.
Seminario
,
Phys. Rev. A
75
,
022511
(
2007
).
58.
E. J.
Bautista
,
L.
Yan
, and
J. M.
Seminario
,
J. Phys. Chem. C
111
,
14552
(
2007
).
59.
L. A.
Agapito
,
E. J.
Bautista
, and
J. M.
Seminario
,
Phys. Rev. B
76
,
115316
(
2007
).
60.
R.
Pati
and
S. P.
Karna
,
Phys. Rev. B
69
,
155419
(
2004
).
61.
R.
Pati
and
S. P.
Karna
,
J. Chem. Phys.
115
,
1703
(
2001
).
62.
P. A.
Derosa
and
J. M.
Seminario
,
J. Phys. Chem. B
105
,
471
(
2001
).
You do not currently have access to this content.