Relaxation dynamics of l-alanine in water medium investigated by dielectric relaxation spectroscopy.


Journal

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533

Informations de publication

Date de publication:
05 Nov 2019
Historique:
received: 06 05 2019
revised: 09 06 2019
accepted: 13 06 2019
pubmed: 24 6 2019
medline: 31 12 2019
entrez: 24 6 2019
Statut: ppublish

Résumé

The complex dielectric permittivity of L-alanine in aqueous medium at different concentrations and different temperatures were measured in the microwave (0.02 < ν/GHz < 20) frequency region by using open-ended coaxial probe technique. From the reflection coefficient and impedance data, the real and imaginary part of the dielectric permittivity values is determined. It is observed that there is a decrease in the real part of the dielectric permittivity up to certain frequency and an increase in the imaginary part of the dielectric permittivity with increase in the molar concentration of L-alanine in water medium. Based on the experimental data the average relaxation time values are calculated and its behavior is analyzed in terms of bound water and free water molecules. The theoretical dipole moment of L-alanine is calculated at gaseous state as well as in aqueous medium by using PCM and IEFPCM model at HF, DFT/B3LYP and MP2 calculations using 6-311G* basis set. Analysis between experimentally determined parameters and computed dipole moments were discussed. The mean molecular polarizability is calculated from the Lippincott δ function potential model and compared with the Le Fèvre method of polarizability values.

Identifiants

pubmed: 31229918
pii: S1386-1425(19)30664-X
doi: 10.1016/j.saa.2019.117274
pii:
doi:

Substances chimiques

Water 059QF0KO0R
Alanine OF5P57N2ZX

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

117274

Informations de copyright

Copyright © 2019 Elsevier B.V. All rights reserved.

Auteurs

V Manjula (V)

Department of Physics, GITAM (Deemed to be University)-Hyderabad, Rudraram, Patancheru (M), TS 502329, India; Department of Physics, Geethanjali College of Engineering and Technology, Hyderabad, Telangana 501301, India.

T Vamshi Prasad (TV)

Department of Physics, Jawaharlal Nehru Technological University-Hyderabad, Hyderabad 500085, India.

K Balakrishna (K)

Department of Physics, GITAM (Deemed to be University)-Hyderabad, Rudraram, Patancheru (M), TS 502329, India.

V R K Murthy (VRK)

Microwave Laboratory, Department of Physics, Indian Institute of Technology Madras, Chennai 600036, India.

T Vishwam (T)

Department of Physics, GITAM (Deemed to be University)-Hyderabad, Rudraram, Patancheru (M), TS 502329, India. Electronic address: vishwam.talloju@gitam.edu.

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Classifications MeSH