Optical and Raman spectra of single crystals of perylene-TCNQ charge transfer complexes

1982 ◽  
Vol 60 (5) ◽  
pp. 588-595 ◽  
Author(s):  
A. D. Bandrauk ◽  
K. D. Truong ◽  
C. Carlone

Optical transmission and reflection measurements are reported for the quasi one dimensional solids perylene-TCNQ (P1T1) and (perylene)3-TCNQ (P3T1) in the region from 300 to 1200 nm. Raman spectra of single crystals of both compounds were obtained from 20 to 3000 cm−1. With 457.9 nm excitation, combinations and overtones of perylene are observed for the first time. A complete Raman spectrum of perylene and its deuterated homologue including librations is thus obtained via selective resonance enhancement of that molecule.

1970 ◽  
Vol 48 (14) ◽  
pp. 1664-1674 ◽  
Author(s):  
D. W. Lepard

This paper presents a method for calculating the relative intensities and Raman shifts of the rotational structure in electronic Raman spectra of diatomic molecules. The method is exact in the sense that the wave functions used for the calculations may belong to any intermediate case of Hund's coupling schemes. Using this method, theoretical calculations of the pure rotational and electronic Raman spectrum of NO, and the pure rotational Raman spectrum of O2, are presented. Although a calculated stick spectrum for NO was previously shown by Fast et al., the details of this calculation are given here for the first time.


2002 ◽  
Vol 12 (9) ◽  
pp. 357-360
Author(s):  
M. Buron ◽  
E. Collet ◽  
M. H. Lemée-Cailleau ◽  
H. Cailleau ◽  
T. Luty ◽  
...  

Mixed-stack charge-transfer (CT) complexes undergoing the neutral-ionic (N-I) phase transition are molecular materials formed of stacks where electron donor (D) and acceptor (A) molecules regularly alternate. In the N phase, the CT is low and molecules are situated on inversion centers, while in the I phase, the increase of CT is accompanied by a lattice distortion (dimerization process and symmetry breaking). The one-dimensional (1D) architecture triggers the chain multistability by stabilizing lattice-relaxed (LR)-CT excitations ...D° A° D° A° $(D^+A^-)(D^+A^-)(D^+A^-)$ Do A" D° A° D°... These 1D nano-scale objects are at the heart of the equilibrium N-I phase transition and govern the fascinating physical properties such as giant dielectric response or photo-induced phase transformations. In this contribution, the 1D character of these critical excitations will be demonstrated by direct observation using high resolution X-Ray diffraction.


2015 ◽  
Vol 70 (3) ◽  
pp. 177-181
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo

AbstractTransparent, light blue crystals of Cu[C(CN)3]2·2 NH3 were obtained by dissolving Cu[C(CN)3]2 in aqueous ammonia and subsequent evaporation of the solvent under ambient conditions. Cu[C(CN)3]2·2 NH3 crystallizes in the space group C2/c (no. 15, Z = 4) with the cell parameters a = 1291.9(3), b = 753.18(15) and c = 1200.8(2) pm, and β = 92.68(3)°. The nature of the tricyanomethanide anion and the ammonia molecules were verified by Raman spectroscopy. Single crystals of Ag[C(CN)3] and Cu[C(CN)3]2 were synthesized, the known structures were confirmed and their Raman spectra were recorded for the first time for comparison.


CrystEngComm ◽  
2020 ◽  
Vol 22 (42) ◽  
pp. 7090-7094 ◽  
Author(s):  
Yiming Wang ◽  
Yanliang Liu ◽  
Yizhang Wu ◽  
Junjie Jiang ◽  
Chunlin Liu ◽  
...  

Here, we demonstrate for the first time the growth of 2 mm × 4 mm × 8 mm sized single crystal one dimensional organic lead iodine perovskite – DMAPbI3 ((CH3)2NH2PbI3).


1985 ◽  
Vol 40 (5) ◽  
pp. 594-600 ◽  
Author(s):  
Ralf Steudel ◽  
Torsten Sandow ◽  
Jürgen Steidel

Abstract The homocyclic oxides S9O (m.p. 33 °C, dec.) and S10O (m.p. 51 °C, dec.) have been prepared by oxidation of the corresponding sulfur rings S9 and S10 , respectively, by trifluoroperoxy acetic acid (molar ratio 1:2-3) in a carbon disulfide/methylene chloride mixture. According to infrared and Raman spectra, both compounds contain an exocyclic oxygen atom. S9O and S10O decompose at 25 °C to give SO2 and a polysulfuroxide SnO with >10 but both can be stored at -78 °C without decomposition. The SS bond distances are discussed on the basis of the Raman spectra. In addition, the Raman spectrum of solid S9 has been recorded for the first time. It shows that S9 crystallizes as two allotropes (α-and β-S9) both consisting of cyclic molecules of either C1 or C2 symmetry with bond distances of between 203 and 209 pm.


1961 ◽  
Vol 39 (11) ◽  
pp. 2179-2188 ◽  
Author(s):  
R. J. Gillespie ◽  
E. A. Robinson

The Raman spectrum of disulphuryl chloride, S2O5Cl2, has been reinvestigated and the Raman spectra of S2O5F2, S2O5ClF, S3O8Cl2, S3O8F2, and the new compound S3O8ClF are reported for the first time. The vibrational spectra of these polysulphuryl halides are interpreted in terms of characteristic group frequencies by comparison with the vibrational spectra of simple sulphuryl compounds. The spectra are consistent with acyclic structures for the polysulphuryl halides.


2015 ◽  
Vol 08 (04) ◽  
pp. 1550039 ◽  
Author(s):  
Dapeng Wu ◽  
Yang Qi

Ca 3 LiRuO 6 single crystals were grown using the flux method, magnetic properties measurement results along different directions of needle-like single crystals are reported for the first time and show Ca 3 LiRuO 6 occurs a paramagnetic (PM)-weak ferromagnetic (FM) transition at a temperature Tc = 120 K , also the magnetic moment aligns in the ab plane. Although Ca 3 LiRuO 6 is characterized by one-dimensional configuration in crystallographic structure, it has three-dimensional (3D) magnetic order, the value of Tc is far below the magnitude of Curie–Weiss temperature. Θcw ≈ -306 K indicates complex nature of the magnetism is in this compound.


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