alexa Raman and IR Spectral and DFT Based Vibrational and Electronic Characterization of Isolated and Zwitterionic Forms of L-Tyrosine
ISSN : 2153-2435

Pharmaceutica Analytica Acta
Open Access

Like us on:
OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Research Article

Raman and IR Spectral and DFT Based Vibrational and Electronic Characterization of Isolated and Zwitterionic Forms of L-Tyrosine

Yadav RA1*, Dixit V1, Yogesh M2 and Santhosh C2*

1Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi -221005 (UP), India

2Department of Atomic and Molecular Physics, Manipal University, Manipal-576104 (Karnatak), India

*Corresponding Authors:
Yadav RA
Laser and Spectroscopy Laboratory
Department of Physics, Banaras Hindu University
Varanasi -221005 (UP), India
Tel: +91 542 2368593
Fax: +91 542 2368390
E-mail: [email protected], [email protected]
Santhosh C
Department of Atomic and Molecular Physics
Manipal University, Manipal-576104 (Karnatak), India
Tel: 0820-2925071
E-mail: [email protected]

Received date: August 13, 2015; Accepted date: October 08, 2015; Published date: October 12, 2015

Citation: Yadav RA, Dixit V, Yogesh M, Santhosh C (2015) Raman and IR Spectral and DFT Based Vibrational and Electronic Characterization of Isolated and Zwitterionic Forms of L-Tyrosine. Pharm Anal Acta 6:439. doi: 10.4172/2153-2435.1000439

Copyright: © 2015 Yadav RA et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.



Comparative structural and vibrational investigations in two different forms of the L-Tyrosine (L-TYR) have been carried out using Raman and IR spectral and DFT methods. For the optimized structures of the most stable conformers the vibrational assignments of the experimental IR and Raman bands have been proposed using the results of the DFT-B3LYP computations and the PEDs computed using GAR2PED software. The optimized geometrical structures of the molecule belong to the C1 point group in the zwitterionic and isolated forms of the molecule. Possibility of the charge transfer phenomena in the molecule has been investigated in light of the HOMO–LUMO analysis. The electron density mappings of the iso-surfaces with the molecular electrostatic potential (MEP) have been carried out to obtain the different information associated with the size, shape, charge density distribution and site of chemical reactivity of the molecule. On the basis of the NBO analysis presence of intramolecular H bonding and intramolecular charge transfer (ICT) have been proposed.

Share This Page

Additional Info

Loading Please wait..
Peer Reviewed Journals
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

Agri, Food, Aqua and Veterinary Science Journals

Dr. Krish

[email protected]

1-702-714-7001 Extn: 9040

Clinical and Biochemistry Journals

Datta A

[email protected]

1-702-714-7001Extn: 9037

Business & Management Journals


[email protected]

1-702-714-7001Extn: 9042

Chemical Engineering and Chemistry Journals

Gabriel Shaw

[email protected]

1-702-714-7001 Extn: 9040

Earth & Environmental Sciences

Katie Wilson

[email protected]

1-702-714-7001Extn: 9042

Engineering Journals

James Franklin

[email protected]

1-702-714-7001Extn: 9042

General Science and Health care Journals

Andrea Jason

[email protected]

1-702-714-7001Extn: 9043

Genetics and Molecular Biology Journals

Anna Melissa

[email protected]

1-702-714-7001 Extn: 9006

Immunology & Microbiology Journals

David Gorantl

[email protected]

1-702-714-7001Extn: 9014

Informatics Journals

Stephanie Skinner

[email protected]

1-702-714-7001Extn: 9039

Material Sciences Journals

Rachle Green

[email protected]

1-702-714-7001Extn: 9039

Mathematics and Physics Journals

Jim Willison

[email protected]

1-702-714-7001 Extn: 9042

Medical Journals

Nimmi Anna

[email protected]

1-702-714-7001 Extn: 9038

Neuroscience & Psychology Journals

Nathan T

[email protected]

1-702-714-7001Extn: 9041

Pharmaceutical Sciences Journals

John Behannon

[email protected]

1-702-714-7001Extn: 9007

Social & Political Science Journals

Steve Harry

[email protected]

1-702-714-7001 Extn: 9042

© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version