Computational Chemistry Blog

The Weblog of Computational Chemistry Portal at IIITM-K

Archive for February, 2007

Jobs at UNIVERSITY OF HYDERABAD

Posted by manoj on 16th February 2007

The University invites applications for the Post of LECTURER in the Scale of pay of Rs.8000-275-13500 in the following subjects “Mathematics, Statistics / OR, Computer Science, Electronics, Chemistry, Plant Sciences, Earth & Space Sciences, English (ELTC), Philosophy, Hindi, Telugu, Urdu, Linguistics, Economics, Political Science, Sociology, Indian Diaspora, Health Psychology”

Details are available at

http://202.41.85.204/p-1/notification2007.htm

Posted in Jobs / Announcements | Submit Comment

Research Article - Oxidation of substituted triazines by sulfate radical anion (SO4- ]) in aqueous medium: a laser flash photolysis and steady state radiolysis study

Posted by admin on 13th February 2007

P. Manoj 1, K. P. Prasanthkumar 1, V. M. Manoj 1, Usha K. Aravind 1, T. K. Manojkumar 2, C. T. Aravindakumar 1 *
1School of Chemical Sciences, Mahatma Gandhi University, Kottayam 686 560, Kerala, India
2Indian Institute of Information Technology and Management-Kerala, Technopark Campus, Thiruvananthapuram 695 581, Kerala, India
email: C. T. Aravindakumar (CT-Aravindakumar@rocketmail.com)

*Correspondence to C. T. Aravindakumar, School of Chemical Sciences, Mahatma Gandhi University, Kottayam 686 560, Kerala, India.

Keywords :
triazine • sulfate radical anion • laser flash photolysis • radiation chemical • DFT calculation • radical cation • pollutant

Abstract

Laser flash photolysis has been used to determine the bimolecular rate constants and the spectral nature of the intermediates obtained by the reaction of sulfate radical anion (SO4- ) with 1,3,5-triazine (T), 2,4,6-trimethoxy-1,3,5-triazine (TMT), 2,4-dioxohexahydro-1,3,5-triazine (DHT), and 6-chloro N-ethyl N’-(1-methylethyl)-1,3,5-triazine-2,4-diamine (atrazine, AT). The rate constants determined were in the range 4.6 × 107-3 × 109 dm3 mol-1 s-1 at pH 6. The transient absorption spectra obtained from the reaction of SO4- with T, TMT, DHT and AT has an absorption maximum in the region 320-350 nm and was found to undergo second-order decay. The intermediate species is assigned to N-yl C(OH) radical of T (TOH), carbon centered neutral radical of TMT, an OH-adduct of AT and an N-centered radical in the case of DHT. The interpretations on the experimental results obtained from TMT are supported by DFT calculation using Gaussian 03. Steady state radiolysis technique has also been used to investigate the degradation of AT induced by SO4-. The degradation profile indicated that about 99% of AT has been decomposed after an absorbed gamma-radiation dose of 7.5 kGy. The degradation yield of AT (expressed as G(-AT)) was found to be 0.26 µ mol J-1. The degradation reactions initiated by SO4-  may thus be employed as a potential alternative for OH-induced degradation of triazines.

Copyright © 2007 John Wiley & Sons, Ltd.

The Abstract has been published at Wiley InterScience website and can be accessed from this link:

http://www3.interscience.wiley.com/cgi-bin/abstract/114102851/ABSTRACT

Posted in Organic chemistry, General Publications | Submit Comment

Careers in Bharat Petroleum Corporation Ltd

Posted by admin on 6th February 2007

Bharat Petroleum Corporation Limited (BPCL) provides a platform for a challenging career in Engineering, Marketing, Finance, Information Technology, HR , Legal and R&D in the Refinery and Marketing Divisions.

You can see the current openings at BPCL Mumbai Refinery and R&D centre at Greater Noida here at BPCL Career home:(Click current openings)

http://www.bpclcareers.com/index.aspx

Posted in Positions Available | Submit Comment

National Chemical Laboratory offering Scientist Positions

Posted by admin on 5th February 2007

The National Chemical Laboratory(NCL) is offering Scientist and technical positions at its facility at Pune.You can apply online at:

http://www.ncl-india.org/jobs/

The last date of applications is 7/03/2007.You can also download the Advertisement in this regard from the above link.

NB:New users have to register with an email-id and password in order to login and access the advertisement page.All relevant instructions could be had from the above link.

Posted in Positions Available | Submit Comment