Laser-Raman and infrared spectra of amino acids and their metal complexes. III. Proline and bisprolinato complexes

Herlinger, Albert W.; Long, Thomas Veach

doi:10.1021/ja00725a016

Cited by 98 publications

(52 citation statements)

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“…Herlinger and Long have studied the IR spectrum of L-and DL-Proline in the solid and liquid phases [9]. Pandiarajan et al, [10] had studied the IR and Raman spectrum of bis(L-Proline) hydrogen perchlorate and bis(L-Proline) hydrogen nitrate.…”

Section: Ftir Studiesmentioning

confidence: 99%

Growth and characterization of L‐prolinium tartrate – A new organic NLO material

Dhas

Natarajan

2007

Cryst. Res. Technol.

106

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Single crystals of L-Prolinium tartrate (C 5 H 10 NO 2 ), a new organic non-linear optical material of size: 15 × 10 × 10 mm 3 were grown using submerged seed solution growth method. Characterization of the crystals was made using single crystal X-ray diffraction and density determination. Spectroscopic, thermal, optical and mechanical studies were carried out. These studies show that the crystals are thermally stable upto 161°C, transparent for the fundamental and second harmonic generation of Nd: YAG (λ = 1064 nm) laser and possess good mechanical strength. Second harmonic generation (SHG) conversion efficiency was investigated to explore the NLO characteristics of this material using Kurtz and Perry method and it was found that the SHG conversion efficiency is about 90% of that of the standard KDP crystals. Laser damage threshold study was also carried out.

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Section: Ftir Studiesmentioning

confidence: 99%

Growth and characterization of L‐prolinium tartrate – A new organic NLO material

Dhas

Natarajan

2007

Cryst. Res. Technol.

106

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“…For N-substituted amino acids, a stretching vibration near the 2900-cm Ϫ1 region must be shown by the charged AN ϩ HO or the ON ϩ H 2 O groups. 23,24 Accordingly, we assigned the band at 2918 cm Ϫ1 to the charged NH. Since under an acid condition, ONH ϩ H ϩ 3 NH 2 ϩ , and, hence, the secondary amine ions involved in complexation with Zn 2ϩ .…”

Section: Oh and Nh Stretching Vibrationsmentioning

confidence: 99%

Chelation of chitosan derivatives with zinc ions. II. Association complexes of Zn2+ ontoO,N-carboxymethyl chitosan

Tang

Hon

2000

J. Appl. Polym. Sci.

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“…[6±8] NMR [9] and IR [10,11] spectroscopy) and theoretical (molecular mechanics, [8,12] perturbed configuration interaction with localized orbitals (PCILO), [13] and ab initio [12, 14±17] ) calculations. Nevertheless, no high-quality structural investigation of the parent amino acid proline, similar to those available for some smaller neutral amino acids such as glycine [18±20] and a-alanine, [21] has been performed prior to the present study.…”

Section: Introductionmentioning

confidence: 99%

Conformers of Gaseous Proline

Czinki

Császár

2003

Chemistry A European J

105

100

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Accurate geometries, relative energies, rotational and quartic centrifugal distortion constants, dipole moments, harmonic vibrational frequencies, and infrared intensities were determined from ab initio electronic structure calculations for eighteen conformers of the neutral form of the amino acid L-proline. Only four conformers have notable population at low and moderate temperature. The second most stable conformer is only 2+/-2 kJ mol(-1) above the global minimum, while the third and fourth conformers are nearly degenerate and have an excess energy of 7+/-2 kJ mol(-1) relative to the global minimum. All four conformers have one hydrogen bond: N.HO in the lower energy pair of conformers, and NH.O in the higher energy pair of conformers. The conformer pairs differ only in their ring puckering. The relative energies of the conformers include corrections for valence electron correlation, extrapolated to the complete basis set limit, as well as core correlation and relativistic effects. Structural features of the pyrrolidine ring of proline are discussed by using the concept of pseudorotation. The accurate rotational and quartic centrifugal distortion constants as well as the vibrational frequencies and infrared intensities should aid identification and characterization of the conformers of L-proline by rotational and vibrational spectroscopy, respectively. Bonding features of L-proline, especially intramolecular hydrogen bonds, were investigated by the atoms-in-molecules (AIM) technique.

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Laser-Raman and infrared spectra of amino acids and their metal complexes. III. Proline and bisprolinato complexes

Cited by 98 publications

References 0 publications

Growth and characterization of L‐prolinium tartrate – A new organic NLO material

Growth and characterization of L‐prolinium tartrate – A new organic NLO material

Chelation of chitosan derivatives with zinc ions. II. Association complexes of Zn2+ ontoO,N-carboxymethyl chitosan

Conformers of Gaseous Proline

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