Elucidation of site symmetry, location, bond, ground state of Cu2+ ions in lithium sulphate monohydrate single crystal through EPR and optical studies

Subramanian, P.; Sheela, K. Juliet; Krishnan, S.; Shanmugam, V.

doi:10.1016/j.molstruc.2019.127586

Cited by 6 publications

(4 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…At room temperature, the LCSO infrared spectra data were collected (4000–400 cm –1 ) (Figure ). Strong peaks at 1157 and 638 cm –1 are due to [SO 4 ] symmetric stretching . The stretching of the Li–O group corresponds to other peaks below 1200 cm –1 …”

Section: Results and Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Yang

Liu

Zhang

et al. 2023

Crystal Growth & Design

View full text Add to dashboard Cite

In this work, the slow evaporation method of room temperature was used to grow an ultraviolet (UV) transparent nonlinear optical (NLO) crystal of Li2.9Cs1.1(SO4)2 (LCSO). It crystallizes in space group Pmc21. The energy band gap was measured to be 5.39 eV, and this crystal demonstrates a moderate second-harmonic generation response (0.8 × KDP). Fundamental building units are tetrahedron [SO4]2– groups in this structure. The theoretical calculations were performed to illustrate the relationship between electronic structure and associated NLO response. These findings demonstrate the potential of the LCSO crystal as an UV NLO material.

show abstract

Section: Results and Discussionmentioning

confidence: 99%

“…Strong peaks at 1157 and 638 cm −1 are due to [SO 4 ] symmetric stretching. 55 The stretching of the Li−O group corresponds to other peaks below 1200 cm −1 . 56 Thermal Behavior.…”

Section: Energy-dispersive X-raymentioning

confidence: 99%

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Yang

Liu

Zhang

et al. 2023

Crystal Growth & Design

View full text Add to dashboard Cite

show abstract

“…Figures S8 and S9 present the IR spectra of the two title compounds. Both of them display broad absorption peaks near 3200 cm –1 associated with water molecules. , The absorption bands from 1238 to 1585 cm –1 could be assigned to the asymmetric stretching of CO and C–O bonds. , The IR spectrum of Zn-LTS shows the asymmetric and symmetric stretching vibrations of [SO 4 ] group near 1293 cm –1 . − The absorption bands in the range of 780–516 cm –1 can be assigned to the vibration of Zn–O bonds. − …”

Section: Resultsmentioning

confidence: 99%

Two Acentric Zn-Based l-Tartrates with Moderate Second Harmonic Generation Responses and Large Birefringence

Yu,

Wan,

Yang

et al. 2024

Inorg. Chem.

View full text Add to dashboard Cite

The discovery of novel organic−inorganic hybrid nonlinear optical (NLO) crystal materials holds great potential in advancing laser science and technology as they offer a wide range of benefits including easy synthesis, structural versatility, and high hyperpolarizability. Herein, the integration of L-tartaric acid (L-C 4 H 6 O 6 ) and ZnSO 4 gave rise to two acentric Zn-based organic− inorganic hybrid crystals, namely, Zn 2 (, water molecule, or [SO 4 ] tetrahedron. Interestingly, they possess moderate secondorder NLO effects of 0.28 × KH 2 PO 4 (Zn-LT) and 0.57 × KH 2 PO 4 (Zn-LTS), large birefringence of 0.075 (Zn-LT) and 0.069 (Zn-LTS), suggesting that the introduction of [SO 4 ] groups with intrinsically weak polarizability and weak optical anisotropy induces the enhancement of the NLO effect while without reducing birefringence much. In addition, both of them display UV cutoff edges near 210 nm, indicating their potential as NLO crystals applied in the UV and solar-blind region.

show abstract

“…The local environmental symmetry of the analyzing complexes in the host lattices can be determined with the help of transition metal ions as a probe. Since the Cu 2+ has 3d 9 configurations, which represents a simple 1 magnetic hole system [1][2][3][4][5][6][7][8], it enters the lattice replacing the divalent cation either substitutionally or interstitially.…”

Section: Introductionmentioning

confidence: 99%

EPR Analysis of Cu2+ ion Doped Potassium borodicitrate Single Crystal

Nagarajan

Palanisamy²

2022

Trends Sci

View full text Add to dashboard Cite

In our present investigation single crystals of Potassium borodicitrate (KBDC) (for a fixed content- host lattice) with Cu2+, a guest species, as a dopant (at four 0.2, 0.5, 1 and 2 g) in weight ratio have been synthesized at room temperature by using slow evaporation method. These as-synthesized 4 crystals have been subjected to Electron Paramagnetic Resonance (EPR) studies. The EPR spectrum shows that 0.5 g dopant KBDC give a 4 equidistant hyperfine lines with the perfect symmetry confirms that the localization of Cu2+, a paramagnetic impurity, within it reveals that the maximum absorption of EPR signals happens at 0.5 g Cu2+ than any other concentrations with reference to 20° in horizontal plane than the normal and vertical recording in the same angular projection. The Spin Hamiltonian calculations are used to obtain spectroscopic field splitting factor g-tensor values, gxx = 2.0421, gyy = 2.1962, gzz = 2.2827 and hyperfine splitting factor A-tensor values Axx = 150, Ayy = 112 and Azz = 134. The K–O bond length associated with directional cosines of gzz tensor reveal that the Cu2+ is located interstitially. This optimized single crystal has furtherance been subjected to Single cystal X-ray diffraction (SXRD), Fourier transform infrared Spectrascopy (FTIR). Scanning electron microscope (SEM) Energy dispersive X-ray analysis (EDAX) and compared with pure KBDC single crystal. The XRD unit cell crystalline parameter variations reveal that there is doping effect of Cu2+ into the host lattice brings forth structural coordination of Cu2+ with KBDC. The FTIR confirms that complexation of host and guest through molecular interactions in the finger print region. The EDAX mapping shows Cu2+ presence in the crystal. HIGHLIGHTS SXRD are taken to confirm that structure of pure KBDC and Cu2+ doped KBDC are same The spin Hamiltonian parameters of KBDC-Cu2+ single crystal are calculated through EPR spectra On analyzing the spectra, it is found that the doped ion site location symmetry is identified as interstitial and experience orthorhombic local field symmetry In addition to the above studies FTIR and EDX confirms the presence of Cu2+ ion GRAPHICAL ABSTRACT

show abstract

Elucidation of site symmetry, location, bond, ground state of Cu2+ ions in lithium sulphate monohydrate single crystal through EPR and optical studies

Cited by 6 publications

References 15 publications

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Two Acentric Zn-Based l-Tartrates with Moderate Second Harmonic Generation Responses and Large Birefringence

EPR Analysis of Cu2+ ion Doped Potassium borodicitrate Single Crystal

Contact Info

Product

Resources

About

Elucidation of site symmetry, location, bond, ground state of Cu2+ ions in lithium sulphate monohydrate single crystal through EPR and optical studies

Cited by 6 publications

References 15 publications

Li2.9Cs1.1(SO4)2: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Li2.9Cs1.1(SO4)2: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Two Acentric Zn-Based l-Tartrates with Moderate Second Harmonic Generation Responses and Large Birefringence

EPR Analysis of Cu2+ ion Doped Potassium borodicitrate Single Crystal

Contact Info

Product

Resources

About

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Li_2.9Cs_1.1(SO₄)₂: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal