St. Joseph’s Journal of Humanities and Science

CALL FOR PAPERS

St. Joseph’s Editorial-Board welcomes all the researchers in various disciplines of science and humanities to submit their manuscripts for the publications in the second issue of St. Joseph’s Journal of Humanities and Science (ISSN: 2347-5331).  The Journal publishes original contributions from diverse subjects and areas of development. Studies involving novel development & technical advances are most welcome.

To qualify for publication, submitted manuscripts must NOT be previously published or under consideration elsewhere.

St. Joseph’s Editorial- Board will perform a quick review of each manuscript to evaluate the manuscript in terms of novelty, quality and appropriateness and may return the manuscript immediately if it does not meet minimum standards of quality and originality. Manuscripts will ONLY be accepted in electronic format at the email ID: [email protected]

Guidelines for Submission of Papers:

1. The full length paper should be prepared in MS-word, Font- Times of New Roman 12, not exceeding 10 pages should reach the St. Joseph’s Editorial-Board.
2. Submission of Paper should include the followings:
Covering letter*
Abstract
Keywords
Highlights
List of reviewers*
Manuscript*
Tables
Figures

* The paper will be returned if the paper is not accompanied the marked items.

St. Joseph’s Editorial Board                      

Rev.Fr. S. Xavier, Dean of Studies

Prof. M. Arumaiselvam, Vice Principal

Essentials of the Research Paper

• Title. Concise and informative. Avoid abbreviations and formulae where possible.

��� Author names and affiliations. With authors names present the authors’ affiliation addresses (where the actual work was done) below the names. Indicate all affiliations with a lower-case superscript letter immediately after the author’s name and in front of the appropriate address.

• Corresponding author. Clearly indicate who will handle correspondence at all stages of refereeing and publication, Ensure that phone numbers are provided in addition to the e-mail address and the complete postal address.

Format: Line spacing: 1.5; Font: Times of New Roman; Font Size: 12

Highlights
They consist of a short collection of bullet points that convey the core findings of the article Please give the ‘Highlights’ below the abstract and include 3 to 5 bullet points (maximum 85 characters, including spaces, per bullet point).

Keywords
Provide a maximum of 6 keywords, using American spelling and avoiding general and plural terms and multiple concepts (avoid, for example, ‘and’, ‘of’).

Manuscript
The manuscript must be divided into following headings – Introduction, Abstract, Methodology, Results and Discussion, Conclusion, Acknowledgement, References

Abstract
A concise and factual abstract is required. The abstract should state briefly the purpose of the research, the principal results and major conclusions.

Introduction:
A brief and precise literature review with objectives of the research undertaken and essential background be given.

Methodology
Methodology should include the source and nature of material, experimental design and the techniques employed.

Results and discussions
Results should contain data, which are essential for drawing main conclusion from the study. Wherever needed, the data should be statistically analyzed. Same data should not be presented in both table and figure form. The discussion should deal the interpretation of the results.

Conclusion
Conclusion should clearly state what are the findings of the research paper. And it should explain how the research problem of the article is given solution step by step.

Acknowledgements
Collate acknowledgements in a separate section at the end of the article before the references List here those individuals who provided help during the research (e.g., providing language help, writing assistance or proof reading the article, etc.).

Figures
Ensure that each illustration has a caption. A caption should comprise a brief title (not on the figure itself) and a description of the illustration. Please mention where the Fig has to be inserted as [insert Fig. 1 here] in the manuscript. Provide the Figures in JPEG format, always use a minimum of 150 dpi.

Tables
Number tables consecutively in accordance with their appearance in the text. Send all the tables pasted in one MS word file. Place footnotes to tables below the table body and indicate them with superscript lowercase letters. Please mention where the Table has to be inserted as [insert tab. 1 here] in the manuscript

Reference style

Examples:
[1] L. Burgio, P.J. Gibbs, Spectrochim. Acta A 57 (2001) 1491-1521.
Reference to a book:
[2] W. Strunk Jr., E.B. White, The Elements of Style, third ed., Macmillan, New York, 1979.
Reference to a chapter in an edited book:
[3] G.R. Mettam, L.B. Adams, in: B.S. Jones, R.Z. Smith (Eds.), Introduction to the Electronic Age, E-Publishing, Inc., New York, 1994, pp. 281-304.

Spectroscopic and computational study on Azobenzene
S. Xavierab*, S. Periandyc,
aDepartment of Physics, St. Joseph’s College of Arts and Science, Cuddalore, Tamil Nadu, India.
bResearch scholar, Bharathiyar University, Coimbatore,Tamil Nadu, India
cDepartment of Physics, Tagore Arts College,Puducherry, India.

ABSTRACT
A research study has been made on Azobenzene using the FT-IR, FT-Raman, NMR and UV spectra obtained through various spectroscopic techniques. The theoretical vibrational frequencies and optimized geometric parameters have been calculated by using HF and density functional theory with the hybrid methods B3LYP, B3PW91and 6-311+G(d,p)/6-311++G(d,p) basis sets.

Keywords: Azobenzene, chemical shifts; NBO, HOMO-LUMO, Fukui function.

*Corresponding author E-mail address: [email protected]
Tel & Fax- +91 9443428971

1. Introduction
The properties of azobenzene chromophore containing organized films have attracted increasing interests recently, partially due to their potential applications in the fields of nonlinear materials and high-density memory device , etc. We have been paying particular and continuous attention to the azobenzene functionalized monolayer assemblies for both its fundamental and technological perspectives.

2. Experimental details
The spectra compound azobenzene is purchased from Sigma–Aldrich Chemicals, USA, which is of spectroscopic grade and hence used for recording the spectra as such without any further purification. The FT-IR spectrum of the compound is recorded using a Bruker IFS 66V spectrometer in the range of 4000–400 cm���1.
[insert Fig. 1&2 here]

3. Methodology
In the present work, HF and some of the hybrid methods, B3LYP and B3PW91, are carried out using the basis sets 6-31+G(d,p) and 6-311+G(d,p). All these calculations are performed using the GAUSSIAN 09W[2] program package on an i7 processor in a personal computer. In DFT methods, Becke’s three-parameter hybrid function, combined with the Lee–Yang–Parr correlation function (B3LYP)[3,4] and Becke’s three parameter exact exchange-function (B3)[5] combined with the gradient-corrected correlational functional of Lee, Yang and Parr (LYP)[6,7] and Perdew and Wang (PW91)[8,9] predict the best results for molecular geometry and vibrational frequencies of moderately larger molecules. The calculated frequencies are scaled down to give up the rational with the observed frequencies.
[Insert Table 1& 2 here]

4. Results and discussion
The bond length values between C1–C2 and C2–C3 differed by 0.0790 Å; C13-C18 and C13-C14 are differed by 0.011 Å since further weighted by N=N bond. The bond angle of C2–C3–C4 is 0.26º elevated than C1–C6–C5; C13-C18-C17 is elevated 0.1595º than C14-C15-C16 in the ring, which also confirms the deformation of the hexagonal shield.
[Insert Fig. 3& 4]

4.2. Vibrational assignments
In order to obtain the spectroscopic signature of azobenzene, the computational calculations are performed using frequency analysis. On the basis of C2H symmetry, the 66 fundamental vibrations of the molecule can be distributed as 39 in-plane vibrations of A species and 18 out-of-plane vibrations of A species, i.e., vib = 49 A + 17 A. [Insert Table 3 & 4 here]
[Insert Figure 5 & 6 here]

5. Conclusion
In the present investigation, FT-IR, FT-Raman and 13C NMR and 1H NMR spectra of azobenzene are recorded and the observed vibrational frequencies are assigned depending upon their expected region.

Acknowledgements:
We remain grateful to the Administration of St. Joseph’s college of Arts and Science (Autonomous), Cuddalore for providing us the Quantum Computational Research Lab for all the computational works of the compound.

References
Reference to a Journal
[1] L. Burgio, P.J. Gibbs, Spectrochim. Acta A 57 (2001) 1491-1521.

Reference to a book:
[2] W. Strunk Jr., E.B. White, The Elements of Style, third ed., Macmillan, New York, 1979.

Reference to a chapter in an edited book:
[3] G.R. Mettam, L.B. Adams, in: B.S. Jones, R.Z. Smith (Eds.), Introduction to the Electronic Age, E-Publishing, Inc., New York, 1994, pp. 281-304.

St.Joseph’s Journal of Humanities and Science 

Volume 1  Issue 1  January 2014  ISSN: 2347-5331

About the Journal

St. Joseph’s Journal of Humanities and Science is a new innovation of Josephians to promote research and development in the field of Humanities and Science in our esteemed institution.

HUMANITIES

    • 1.
    • A Study on Students’ Test-Taking Attitude in Relation to their Self Concept

      Rev. Fr. Dr. I. Ratchagar and Mrs. A. Arokia Mary

    • Download
    • 2.
    • Fort St. David (Cuddalore) Seat of British Presidency (1746 – 1752)

      Dr. S. Chinnappan

    • Download
    • 3.
    • ‘Waiting For Godot’ – A Christian Criticism

      Mrs. Jeyanthii Ravichandran

    • Download
    • 4.
    • Teaching Poetry at College Level

      – Mr. A. Rayappan

    • Download
    • 5.
    • Kurunthogai Suttum Thani Nilai Uvamaigal

      Dr. M. Vanathaiyan

    • Download
    • 6.
    • Career Planning – “A Strategic Approach”

      Dr. R. Krishnakumar

    • Download
    • 7.
    • Risk Taking Capacity of Investors in Share Market – A Special Reference to
      Puducherry Region

      Dr. L. Santhanaraj and L. Vijayakumar

    • Download
    • 8.
    • Promotion of Entrepreneurial Activity Among Youth in India

      Dr.(Mrs). R. Krishnaveni

    • Download
    • 9.
    • Socio-Economic Rights of The Early Married Muslim Women

      – Mrs. S. Shabna

    • Download
    • 10.
    • Physicians’ and Their Patients’ Attitudes Towards Gifts Given by
      the Pharmaceutical Companies

      – R. Babita and Dr. M. Jezer Jebanesan

    • Download
    • 11.
    • Determination of Consumer Purchase Behaviour – An Overview

      Dr. M. Rajarajan

    • Download
    • 12.
    • Environment, Energy and E-Commerce

      Dr. K. Padhmanaban

    • Download
    • 13.
    • A Study on Environmental Accounting and Reporting in
      Neyveli Lignite Corporation Limited

      Mr. M. Suresh

    • Download
    • 14.
    • Universal Banking for Horticulture Sector of Jammu and Kashmir

      Nazir Fassahat Buchoo

    • Download
    • 15.
    • Cooperative Enterprises Build a Better World

      Prof. D. Ilangovan

    • Download

     

SCIENCE

    • 1.
    • 4G Informatics Cloud for Army Defense

      – Mr. M. Arumai Selvam

    • Download
    • 2.
    • An Expert System to Transfer Learning to Application

      – Dr. G. M. Nasaria, Mrs. R. Vidya and Mr. D. Vigneshwara Raj

    • Download
    • 3.
    • A Framework to Develop Qualitative Bankruptcy Prediction Rules
      Using Swarm Intelligence

      – Mr. A. Martin, Mrs. T. Miranda Lakshmi and V. Prasanna Venkatesan

    • Download
    • 4.
    • Analysing the Association Pattern Between Various Parameters Related to Audio Using WEKA Tools

      – Mr. A. John Pradeep Ebenezer

    • Download
    • 5.
    • A Novel Approach to Data Preprocessing Using Discretization Technique for
      Quality Data Mining

      – Mr. G. Suresh and Mr. S. Muthukumaran

    • Download
    • 6.
    • Production of Rabies Immunoglobulin Using Caprylic Acid Purification Method

      – Dr. J. Jaya Prakash

    • Download
    • 7.
    • Sum Labeling for Arbitrary Supersubdivision of Comb, Pn.2K1 & Spider

      – Mr. J. Gerard Rozario and Mr. J. Jon Arockiaraj

    • Download
    • 8.
    • A Review on the Recent Developments in Wound Dressing Materials

      – Dr. V. Ramnath and  Dr. A. P. Marie Arockianathan

    • Download
    • 9.
    • Phase Diagram Studies on the Mixed Rare Earth Oxide System (DY2O3 & ZRO2)

      – Anita Sagayapushpam, Dr. A. Christy Ferdinand and Dr. D. Manikandan

    • Download
    • 10.
    • FTIR, FT – Raman and Density Functional Theory Calculations on Acetazolamide

      – B. Uma Mageswari, Fr. S. Xavier and Dr. R. Thilak kumar

    • Download
    • 11.
    • Studies on Ion Exchange Capacity in Coir Pith

      – Mrs. P. Thenmozhi

    • Download
    • 12.
    • The Science of Blood and Blood Donation

      – Dr.(Mrs). V. Sivagangailakshmi

    • Download
    • 13.
    • A Study on Prevalence of Hypertension and its Relation with Body Mass Index in Rural Population in Tamilnadu

      – Dr. P. K. Govindarajan

    • Download
    • 14.
    • Biochemical Differentials Between University and Non University Men Players of Various Disciplines

      – Dr. P. Karthikeyan

    • Download

St.Joseph’s Journal of Humanities and Science

Volume 1 Issue 2 August 2014 ISSN: 2347-5331

About the Journal

St. Joseph’s Journal of Humanities and Science is a new innovation of Josephians to promote research and development in the field of Humanities and Science in our esteemed institution.

HUMANITIES

      • 1.
      • A Feministic Reading in Surfacing by Margaret Atwood

        P. Indhu Sakthi

      • Download
      • 2.
      • A Journey: Women in Search of Self-Fulfillment in Ambai’s Fish in A Dwindling Lake

        P. Ananthi

      • Download
      • 3.
      • Expressionism in the Play the American Dream by Edward Albee

        A. Julie

      • Download
      • 4.
      • Enlightenment and Digression in Literary Creativity

        V. R. Suresh Kumar

      • Download
      • 5.
      • Samuel Beckett’s ‘Waiting for Godot’: An Existential Absurd Play

        A. Arun Daves

      • Download
      • 6.
      • Exploring Identity and Hybridity in Zadie Smith’s White Teeth

        P. Sophia Morais

      • Download
      • 7.
      • Quality of Work Life of Employees: Emerging Dimensions

        Dr. L. Santhanaraj

      • Download
      • 8.
      • Viral Marketing – An Overview

        Dr. R. Krishna Kumar and R. Logu

      • Download

SCIENCE

      • 1.
      • Study of Biochemical Analysis and Antibacterial Activity of Glycyrrhiza Glabra Root Extracts

        – Dr. K. Prabhu and P. Kanagalakshmi

      • Download
      • 2.
      • Production of Siderophore Using Bacterial Isolates from Rhizosphere of Paddy

        – P. Poonguzhali and M. Saranya

      • Download
      • 3.
      • NMR, UV-Visible, NLO, NBO, MEP and Vibrational Spectroscopic (IR and Raman) Analysis of O-Nitrobenzamide

        – Rev. Fr. S. Xavier, S. Sumathi  and K. Sivakamasundari

      • Download
      • 4.
      • Effects of Precursor Type and Molarity on Phase Stability and Optical Properties of IN2O3 Thin Films Deposited by Spray Pyrolysis

        – I. Joseph Panneerdoss, S. Johnson Jeyakumar, M. Jothibas, Dr. S. Ramalingam and M. Bououdina

      • Download
      • 5.
      • Crystal Growth, Optical and Microhardness Studies of an Organic Nonlinear Optical PNDG Single Crystal

        – G. Dhivya, Dr. A Christy Ferdinand, V. Manikandan and S. Sornambal

      • Download
      • 6.
      • Efficiency of Cart and Regression Trees in Predicting Student’s Absenteeism in an Academic Year

        G. Suresh, K. Arunmozhi Arasan and S. Muthukumaran

      • Download
      • 7.
      • Categorical Analysis of Routing Protocols

        – M. Arumai Selvam, Dr. E. Ilavarsan, B. Nanthini and T. Revathi

      • Download
      • 8.
      • Mental Health of College Teachers

        – E. Ruby Violet Rani, Dr. K. Govind and Rev. Fr. Dr. I. Ratchagar

      • Download