Model of macroscopic quantum state and inverse Peierls transition in quasi-1D conjugated systems
SUPERMAT Intl. & LLC Supermaterial
BUSINESS
COOPERATION
RESEARCH
About Us Macroscopic Quantum Phenomena
in 3D-ordered conjugated systems
Discovery of nanopolyacetylene
Products News Inventor's brife CV
Custom Synthesis Invitation to cooperation Properties of nanopolyacetylene
Custom Research & Development Introduction to Project Current studies
Contact us Executive Summary Self-organization of nanopolyacetylene
Raman Labels Nonadiabatic Raman scattering
Hyper-sensors Invers-Peierls transition in quasi-1-D
Startup Willage Storage of light Expert opinion


PREFACE and DEFINITIONS

1. We will call the macroscopic quantum state of matter a thermodynamic state, which characterized by coherent zero-point motion (vibrations, oscillations) of considerable part of atoms and molecules this matter consists of.

2. Coherent zero-point motion of atoms and coherent zero-point vibrations of chemical bonds is accompanied by zero-point oscillations of polarizability of matter and lead to appearance of long range attractive forces between atoms and molecules, which take part in this motion. These long range attractive forces can be called - coherent dispersion forces.

3. Coherent dispersion forces act only between atoms and molecules, which are in absolutely identical state. But these atoms and molecules can be located in amorphous matrix at large distance from each other. That is, coherent dispersion forces and conditions of macroscopic quantum state formation are very sensitive to any type of "internal" disorder and defects, but insensitive to some types of "external".

4. Energy of coherent dispersion interaction is proportional to concentration of absolutely identical atoms and molecules in matter, their zero-point vibrational polarizability and frequency of coherent vibtations.

5. The temperature of phase transition to macroscopic quantum state is determined from the condition that the thermal energy of matter should be less than the energy of coherent dispersion interaction.

6. It follows from above-stated that high-temperature macroscopic quantum state is desired be formed by light atoms with high zero-point polarizability (for example, highly ordered structures with hydrogen bonds or carbon p-conjugated systems).


SELECTION of OBJECTS with MACROSCOPIC QUANTUM PROPERTIES

1. Conjugated molecules and macromolecules with degenerate ground state are one of the best candidates for development of materials with high-temperature macroscopic quantum properties.

2. Depending on chemical structure and band gap width conjugated systems can become superconductors or semiconductors with macroscopic quantum properties.

3. However, electronic structure of big conjugated systems is extremely sensitive to any type of chemical, conformational and supra molecular defects. Therefore classical methods of conjugated polymer synthesis and solid state formation can not be used for development of such materials.

4. At present there are two fundamental methods for development of conjugated materials with high-temperature macroscopic quantum properties. This is the matrix synthesis and self-organization of system in high viscous medium.

5. Above-stated methods can be modified for creation carbon, ceramic and inorganic materials with high-temperature macroscopic quantum properties.


EXPERIMENTAL EVIDENCE of COHERENT DISPERSION FORCES. ANTI- PEIERLS TRANSITION in 3D ORDERED QUASI-1D CONJUGATED POLYMERS AND CARBON NANOTUBES

1. It is known that half-filled one-dimensional conjugated and conducting chains are unstable against dimerization of unit cell (Peierls instability). This instability leads to bond length alternation along the chain and appearing of the band gap in the electron spectrum. It follows from above that bond length alternation should increase with decrease of temperature (Peierls transition).

2. We have shown that, in contradiction with above-stated, decrease in temperature of 3D ordered nano-gels and nano-composites of quasi-1D conjugated polymers and single walled carbon nanotubes leads to reduction of bond length alternation in macromolecules. This phenomenon can be called by anti-Peierls transition.

3. We assume that degree of bond length alternation in quasi-1D conjugated chains without defects is determined by balance of coherent dispersion interaction energy and energy of Peierls transition.

4. Energy of coherent dispersion interaction between macromolecules increases with reduction of bond length alternation. The decrease in temperature is also accompanied by growth of the energy of coherent dispersion interaction between macromolecules. When coherent dispersion interaction energy exceeds the energy of Peierls transition it leads to reduction of bond length alternation in polymer chains.

5. The Peierls transition is the fundamental characteristic of individual 1D conjugated chain. Thus, the anti-Peierls transition is a conclusive evidence of inter-chain coherent dispersion interactions in 3D ordered qusi-1D conjugated systems.


APPLICATION

1. Organic conjugated systems have higher potential for creation of high-temperature superconductors than inorganic materials.

2. 3D ordered quasi-1D conjugated polymers and carbon nanotubes are the real candidates for development of (Little's idea) high-temperature superconductors.

3. Creation of quasi-1D organic high-temperature superconductors was impossible in the past only because of high concentration of defects in objects for study.

4. Below you can see anti-Peierls transition in gel of nanopolyacetylene, which was synthesized at Luttinger catalyst. At present Supermat Intl. elaborated two new quasi-1D conjugated polymeric materials, which demonstrate high efficiency of anti-Peierls transition at decrease of temperature.


Example
Raman spectra of NPA
.

Fig. (a) Raman scattering spectra of gel of nanopolyacetylene at room and low temperatures.
Fig. (b) Stretching (C=C) mode line at low temperature. It is fitted by Lorentzian curve.

One can see from the figure (b) that decrease of gel temperature leads to appearance in Raman scattering spectrum of nanopolyacetylene two new stretching (C-C) and (C=C) mode lines at 1437 cm-1 and 1447 cm-1 with difference between them only 10 cm-1. We suppose that decrease in temperature is accompanied by anti-Peierls transition and formation of new thermodynamic phase of nanopolyacetylene, which is characterized by exceptionally small bond length alternation.
This phase is prototipe of first organic high-temperature superconductor.




e-mail: kobryan@nanopolyacetylene.com