Probing of different conformations of piperazine using Raman spectroscopy

Sengupta, S.; Maiti, Namita; Chadha, Ridhima; Kapoor, Sudhir

doi:10.1016/j.chemphys.2014.03.011

Cited by 36 publications

(27 citation statements)

References 25 publications

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“…The optimized geometry of PZCDT and PZbCDT with silver cluster is shown in Fig. [27][28][29] Spectral analysis of SERS@AgNPs of PZCDT and PZbCDT Before analysing the Raman spectra and intensity enhancement in SERS, it is worth mentioning that charge transfer phenomena usually occur through chemical adsorption. The vibrational modes are assigned with the help of Gaussian 03, GaussView 4.1 and GAR2PED soware 25,26 as given in Table 1 and also with help of some reported results.…”

Section: Resultsmentioning

confidence: 99%

Surface enhanced Raman scattering investigation of two novel piperazine carbodithioic acids adsorbed on Ag and ZnO nanoparticles

et al. 2015

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In this work piperazine-1-carbodithioic acid (PZCDT) and piperazine-1,4-dicarbodithioic acid (PZbCDT) were synthesized. These analytes PZCDT and PZbCDT have chair conformations, which is expected to give specific surface-enhanced Raman scattering (SERS) effects on individual bands. SERS, UV-Visible, TEM and DFT methods have proved that the dithiocarbamate moiety is a potential and suitable functional group for silver and ZnO nanoparticles (AgNPs and ZnONPs). The enhancement mechanism and enhancement factors in both SERS@AgNPs and SERS@ZnONPs are also discussed. Two new strong bands appear at 1630, 1286 cm À1 with very large intensity in SERS@AgNPs, which signifies the conversion of the C-N bond of the dithiocarbamate moiety into C]N bonds. The SERS signatures that are observed are quite different in SERS@AgNPs and SERS@ZnONPs.

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Section: Resultsmentioning

confidence: 99%

Surface enhanced Raman scattering investigation of two novel piperazine carbodithioic acids adsorbed on Ag and ZnO nanoparticles

et al. 2015

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“…Using the Clausius-Mossotti relation, the value of electronic polarizability (a) was easily obtained by the following relation [66]:…”

Section: Evaluation Of Solid-state Parametersmentioning

confidence: 99%

Investigation on the optical, spectral, electrical, mechanical, and laser damage threshold studies of bis (4-acetylanilinium) tetrachloridozincate (B4ATCZ) crystal

Suriya

Manimaran

Boaz

et al. 2021

J Mater Sci: Mater Electron

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An efficient semi-organic nonlinear optical bis (4-acetylanilinium) tetrachloridozincate [(C8H10NO)2 ZnCl4] (B4ATCZ) single crystal was synthesized and successfully grown by the slow evaporation method. The single-crystal X-ray diffraction data confirm that B4ATCZ crystallized into an orthorhombic crystal system (Cmca). The UV–Vis–NIR transmittance spectrum was taken to assess the optical transmission, cut-off wavelength, and bandgap energy. The TG–DSC investigation ensures that the B4ATCZ is stable up to 235 °C. The mechanical behavior of the B4ATCZ compound was determined by Vickers Microhardness analysis. The surface laser-induced damage threshold value of the grown B4ATCZ crystal was endowed to be 19.78 GW/cm2 on testing with 1064 nm Nd: YAG laser radiation. The positive photoconductive properties and charge transport mechanism of B4ATCZ crystal were analyzed through photoconductivity and dielectric studies. The electron excitation and lifetime measurements of the molecules in the B4ATCZ crystal were studied by fluorescence spectral analysis. The HOMO–LUMO analysis evidently interprets the occurrence of N–H⋯O and N–H⋯Cl intermolecular hydrogen bonds influencing the charge transfer in the system. The electrostatic potential surface reveals the possible sites for hydrogen bonding electrophilic and nucleophilic interactions. Third-order nonlinear optical activity evaluated by the Z-scan measurements indicates the self-focusing and reverse saturable absorption in the crystal. The aforesaid results affirm that the metal-organic B4ATCZ is a potential material for optoelectronic and nonlinear optical device applications.

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“…1). Contrary to that, the piperazine ring is flexible and can adopt four different conformations: chair, boat, twist-boat and half-boat, the former being the energetically most favourable (SenGupta et al, 2014). A comparison of the hexagonal rings of 2,5-diazabicyclo[2.2.1]heptane and the chair conformer of piperazine (Fig.…”

Section: Structural Commentarymentioning

confidence: 99%

Crystal structure of (1S,4S)-2,5-diazoniabicyclo[2.2.1]heptane dibromide

Britvin

Rumyantsev

2017

Acta Cryst E

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The cage of 2,5-diazabicyclo[2.2.1]heptane is frequently employed in synthetic chemistry as a rigid bicyclic counterpart of the piperazine ring. The 2,5-diazabicyclo[2.2.1]heptane scaffold is incorporated into a variety of compounds having pharmacological and catalytic applications. The unsubstituted parent ring of the system, 2,5-diazabicyclo[2.2.1]heptane itself, has not been structurally characterized. We herein report on the molecular structure of the parent ring in (1S,4S)-2,5-diazoniabicyclo[2.2.1]heptane dibromide, C 5 H 12 N 2 2+ Á2Br À . The asymmetric unit contains two crystallographically independent cages of 2,5-diazabicyclo[2.2.1]heptane. Each cage is protonated at the two nitrogen sites. The overall charge balance is maintained by four crystallographically independent bromide ions. In the crystal, the components of the structure are linked via a complex three-dimensional network of N-HÁ Á ÁBr hydrogen bonds.

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Probing of different conformations of piperazine using Raman spectroscopy

Cited by 36 publications

References 25 publications

Surface enhanced Raman scattering investigation of two novel piperazine carbodithioic acids adsorbed on Ag and ZnO nanoparticles

Surface enhanced Raman scattering investigation of two novel piperazine carbodithioic acids adsorbed on Ag and ZnO nanoparticles

Investigation on the optical, spectral, electrical, mechanical, and laser damage threshold studies of bis (4-acetylanilinium) tetrachloridozincate (B4ATCZ) crystal

Crystal structure of (1S,4S)-2,5-diazoniabicyclo[2.2.1]heptane dibromide

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