Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer

CrystEngComm ◽  
2021 ◽  
Author(s):  
Valentina Milasinovic ◽  
Kresimir Molcanov
Keyword(s):  
Charge Transfer ◽  
Quinoid Ring ◽  
Organic Cations ◽  
Short Contact ◽  
Iodide Anion

Six novel co-crystals of tetrabromoquinone with iodide salts of organic cations displaying short contact between iodide anion and the quinoid ring have been structurally characterised. Sandwich-like groups I−∙∙∙quinone∙∙∙I− are present...

Electronic Spectra of Thiocyanate, Selenocyanate, and Azide Complexes of Manganese, Vanadium, and Indium

1969 ◽  
Vol 24 (1) ◽  
pp. 126-133 ◽  
Author(s):  
H.-H. Schmidtke ◽  
D . Garthoff
Keyword(s):  
Infrared Spectroscopy ◽  
Charge Transfer ◽  
Electronic Spectra ◽  
Diffuse Reflectance ◽  
Electronic Transitions ◽  
Orbital Energy ◽  
Organic Cations ◽  
Ultraviolet Region ◽  
Ligand Field ◽  
Diffuse Reflectance Spectra

The anions Mn(NCS)42-, Mn(NCS)64-, Mn(NCSe)42-, Mn(NCSe)64-, Mn(N3)42-, V(NCS)63-, V(NCSe)63-, V(N3)63-, VO(NCS)53-, VO(NCSe)42-, VO(N3)42- , and In(NCS)63- have been prepared and crystallized with large organic cations. The complexes are characterized by elementary analyses, diffuse reflectance spectra in the visible and ultraviolet region, and by infrared spectroscopy. Ligand field and charge transfer bands of electronic transitions are interpreted by usual theoretical proce­dures. The parameters of semiempirical theories are calculated. From the charge transfer spectra the values ϰ(MnII)=1.9; ϰ(VIII)=1.8; ϰ(VO2+) =1.5; ϰ(InIII) =1.2 are determined for the optical orbital energy parameters.

Femtosecond dynamics of photodetachment of the iodide anion in solution: resonant excitation into the charge-transfer-to-solvent state

1998 ◽  
Vol 298 (1-3) ◽  
pp. 120-128 ◽  
Author(s):  
Jeremiah A Kloepfer ◽  
Victor H Vilchiz ◽  
Victor A Lenchenkov ◽  
Stephen E Bradforth
Keyword(s):  
Charge Transfer ◽  
Resonant Excitation ◽  
Femtosecond Dynamics ◽  
Iodide Anion

Crystal structures of rac- and meso-o-Phenylenebis(iodomethylarsine), the latter as its lattice complex with the methiodide of 1,3-Dimethyl-1,3-dihydro-2,1,3-benzoxadiarsole

1977 ◽  
Vol 30 (11) ◽  
pp. 2417 ◽  
Author(s):  
K Henrick ◽  
CL Raston ◽  
AH White ◽  
SB Wild
Keyword(s):  
Charge Transfer ◽  
Single Crystal ◽  
Least Squares ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Iodine Species ◽  
Iodide Anion ◽  
The Mean

The crystal structures of the title compounds, o-C6H4(AsMeI)2 (1), and o- C6H4(AsMeI)2- [o-C6H4(AsMe)(As+Me2)O] I- (2), have been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to residuals of 0.037 and 0.067 for 2095 and 2913 reflections respectively. Crystals of (1) are triclinic, Pī, a 9.865(5), b 9.837(7), c 7.765(4) Ǻ, α 98.89(5), β 96.71(4), γ 60.72(4)�, Z 2. <As- I> is 2.585 Ǻ and <As-C> 1.97 Ǻ. The angles about the arsenic differ only trivially, the mean being 98.4�. Crystals of (2) are monoclinic, P21/n, a 15.315(4), b 21.511(8), c 7.952(2) Ǻ, β 98.19(2)�, Z 4. In the cation As-O distances are unequal [1.75(1) (quaternary As), 1.86(2) Ǻ]; As-O-As is very small being 115.8(8)�. Charge-transfer interactions between iodine species are present in both derivatives; in (2), there is an interaction between the tertiary arsenics of the meso molecule and the iodide anion, As...I being 3.307(3), 3.551(3) Ǻ, with the geometry of the arsenics approaching that of a tetrahedral disposition. Within the cation, the geometry about the quaternary arsenic is typical of arsenic(v), the bond lengths being shorter than those about the ternary arsenic.

scholarly journals New Low-Dimensional Hybrid Perovskitoids Based on Lead Bromide with Organic Cations from Charge-Transfer Complexes

Crystals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1424
Author(s):  
Igor A. Nikovskiy ◽  
Kseniya L. Isakovskaya ◽  
Yulia V. Nelyubina
Keyword(s):  
Charge Transfer ◽  
Perovskite Solar Cells ◽  
Optoelectronic Device ◽  
Organic Cations ◽  
Charge Transfer Complexes ◽  
Crystalline Materials ◽  
Hybrid Perovskite ◽  
Lead Bromide ◽  
Low Dimensionality ◽  
Low Dimensional

We have obtained a series of low-dimensional hybrid perovskitoids (often referred to as perovskites) based on lead bromide. As organic cations, the derivatives of polyaromatic and conjugated molecules, such as anthracene, pyrene and (E)-stilbene, were chosen to form charge-transfer complexes with various organic acceptors for use as highly tunable components of hybrid perovskite solar cells. X-ray diffraction analysis showed these crystalline materials to be new 1D- and pseudo-layered 0D-perovskitoids with lead bromide octahedra featuring different sharing modes, such as in unusual mini-rods of four face- and edge-shared octahedra. Thanks to the low dimensionality, they can be of use in another type of optoelectronic device, photodetectors.

Study of charge transfer in FeTi

1983 ◽  
Vol 41 ◽  
pp. 296-297
Author(s):  
J. Taft∅
Keyword(s):  
Charge Transfer ◽  
Charge Distribution ◽  
Electron Scattering ◽  
Periodic System ◽  
Electron Distribution ◽  
Scattering Amplitude ◽  
Transition Elements ◽  
Hartree Fock ◽  
Cscl Structure ◽  
The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

Direct imaging of charge transfer

1996 ◽  
Vol 54 ◽  
pp. 680-681
Author(s):  
Yimei Zhu ◽  
J. Tafto
Keyword(s):  
Charge Transfer ◽  
Electron Diffraction ◽  
Scattering Amplitude ◽  
High Temperature Superconductors ◽  
Charge Carriers ◽  
Image Charge ◽  
Net Charge ◽  
Long Time ◽  
Electron Holes ◽  
First Time

The electron holes confined to the CuO2-plane are the charge carriers in high-temperature superconductors, and thus, the distribution of charge plays a key role in determining their superconducting properties. While it has been known for a long time that in principle, electron diffraction at low angles is very sensitive to charge transfer, we, for the first time, show that under a proper TEM imaging condition, it is possible to directly image charge in crystals with a large unit cell. We apply this new way of studying charge distribution to the technologically important Bi2Sr2Ca1Cu2O8+δ superconductors.Charged particles interact with the electrostatic potential, and thus, for small scattering angles, the incident particle sees a nuclei that is screened by the electron cloud. Hence, the scattering amplitude mainly is determined by the net charge of the ion. Comparing with the high Z neutral Bi atom, we note that the scattering amplitude of the hole or an electron is larger at small scattering angles. This is in stark contrast to the displacements which contribute negligibly to the electron diffraction pattern at small angles because of the short g-vectors.

Efficient and stable charge transfer channels for photocatalytic water splitting activity of CdS without sacrificial agents

2020 ◽  
Vol 8 (40) ◽  
pp. 20963-20969 ◽  
Author(s):  
Wei Chen ◽  
Guo-Bo Huang ◽  
Hao Song ◽  
Jian Zhang
Keyword(s):  
Charge Transfer ◽  
Water Splitting ◽  
Photocatalytic Water Splitting ◽  
Transfer Channel ◽  
Efficient Charge ◽  
Transfer Channels

An efficient charge transfer channel for improving the photocatalytic water splitting activity and durability of CdS without sacrificial agents.

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