The crystal structure, vibrational spectra, thermal behaviour and second harmonic generation of aminoguanidinium(1+) hydrogen l-tartrate monohydrate

Macháčková, Zorka; Němec, Ivan; Teubner, Karel; Němec, Petr; Vaněk, Přemysl; Mička, Zdeněk

doi:10.1016/j.molstruc.2006.08.006

Cited by 34 publications

(18 citation statements)

References 18 publications

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“…The broad structured band in the 3500-3000 cm -1 region of the IR spectra corresponds to the stretching vibrations of the NH and OH groups participating in N-H···N, N-H···O, or O-H···O hydrogen bonds [3]. Strong-to medium-intensity bands originating from the asymmetric stretching vibration of the carboxylate group were present at 1580-1570 cm -1 , while symmetric stretching vibrations were recorded between 1330 and 1356 cm -1 .…”

Section: Infrared Spectramentioning

confidence: 98%

“…4) and nearly perpendicular to the oxamate group, making a dihedral angle of 81.53°. The bonds C1-N1 and C1-N2 were 1.3221 (17) [3,9,11,12]. The structure can be regarded as an aminoguanidinium derivative, where the positive charge was delocalized over the guanidinium moiety and the negative charge over the -CO-COO group.…”

Section: Structural Description Of Compoundmentioning

confidence: 99%

“…For example, aminoguanidinium (+1) nitrate [1], aminoguanidinium (+1) dihydrogen phosphate [2] and aminoguanidinium (+1) hydrogen L-tartrate monohydrate [3] have been prepared for use in optical materials. The aminoguanidinium (+1) salts of various anions, such as Cl -, NO 3 -, SO 4 2-and H 2 PO 4 -, have been prepared, and their crystal structures have been reported [1,2,[4][5][6].…”

Section: Introductionmentioning

confidence: 99%

“…Only a few salts, such as aminoguanidinium hemioxalate [9], hydrogen-L-tartrate monohydrate [3] and squarate [10], have been reported in the literature. Previously, we reported the structures of aminoguanidinium hydrogen succinate [11] and aminoguanidinium hydrogen fumarate [12].…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

The chemistry of aminoguanidine derivatives – preparation, crystal structure, thermal properties, and molecular docking studies of aminoguanidinium salts of several carboxylic acids

Selvakumar

Geib

Sankar

et al. 2015

Journal of Physics and Chemistry of Solids

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Section: Infrared Spectramentioning

confidence: 98%

Section: Structural Description Of Compoundmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

The chemistry of aminoguanidine derivatives – preparation, crystal structure, thermal properties, and molecular docking studies of aminoguanidinium salts of several carboxylic acids

Selvakumar

Geib

Sankar

et al. 2015

Journal of Physics and Chemistry of Solids

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“…Thus researchers are very much interested in searching guanidine based organic compounds with good nonlinear properties such as guanidinium L-tartrate monohydrate, aminoguanidinium(1þ) hydrogen L-tartrate monohydrate, etc. [4][5][6]. ''These materials exhibit good nonlinear optical response and thermal stability.…”

Section: Introductionmentioning

confidence: 99%

Studies on growth, spectral and mechanical properties of new organic NLO crystal: Guanidinium 4-nitrobenzoate (GuNB)

Arumanayagam¹,

Murugakoothan²

2013

Journal of Crystal Growth

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Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L‐tartrate: a density functional theoretical approach

Vidya

Ravikumar²,

Joe³

et al. 2011

J Raman Spectroscopy

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Single crystals of ammonium D, L-tartrate, a potential nonlinear optical (NLO) material of interest, were grown by the slow evaporation technique. The crystal structure was determined by single-crystal X-ray diffraction. Fourier transform infrared and Raman spectra of the crystallized molecule were recorded and analyzed. The geometry, intermolecular hydrogen bonding, first hyperpolarizability and harmonic vibrational wavenumbers were calculated with the help of B3LYP density functional theory method. The red shift of hydroxyl and NH 4 + stretching wavenumbers indicate the formation of inter-and intramolecular hydrogen bonding. Simultaneous activation of CH stretching wavenumbers shows the presence of intramolecular charge transfer in the molecule. Natural bond orbital analysis was carried out to demonstrate the various inter-and intramolecular interactions that are responsible for the stabilization of this molecule, leading to high NLO activity.

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The crystal structure, vibrational spectra, thermal behaviour and second harmonic generation of aminoguanidinium(1+) hydrogen l-tartrate monohydrate

Cited by 34 publications

References 18 publications

The chemistry of aminoguanidine derivatives – preparation, crystal structure, thermal properties, and molecular docking studies of aminoguanidinium salts of several carboxylic acids

The chemistry of aminoguanidine derivatives – preparation, crystal structure, thermal properties, and molecular docking studies of aminoguanidinium salts of several carboxylic acids

Studies on growth, spectral and mechanical properties of new organic NLO crystal: Guanidinium 4-nitrobenzoate (GuNB)

Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L‐tartrate: a density functional theoretical approach

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