*Five Years Citation in Google scholar (2016 - 2020) is. 1451*   *    IJPR IS INDEXED IN ELSEVIER EMBASE & EBSCO *       

logo

INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

A Step Towards Excellence
Published by : Advanced Scientific Research
ISSN
0975-2366
Current Issue
Article In Press
No Data found.
ADOBE READER

(Require Adobe Acrobat Reader to open, If you don't have Adobe Acrobat Reader)

Index Page 1
Click here to Download
IJPR 9[3] July - September 2017 Special Issue

July - September 9[3] 2017

Click to download
 

Article Detail

Label
Label
Ab-initio study of vibrational spectra revealed the better reactive potential of Eugenol over Carvacrol: Bioactive compounds derived from Ocimum tenuiflorum (Tulsi)

Author: ANUPAM SHARMA, O. P. SINGH, A. K. SHARMA, ANIL KUMAR, ANIL K. SHARMA
Abstract: The vibrational frequencies for the fundamental modes and the low lying states of carvacrol and eugenol in gas phase have been calculated at DFT ab-initio level. The calculated vibrational frequencies of carvacrol and eugenol were further compared to assess their reactivity. It was found that eugenol is more reactive than carvacrol, which was evident from the higher frequencies of O-H stretching in carvacrol as compared to eugenol. This could be because of the presence of one of the most prominent reactive site in both the molecules. The same observation was also confirmed when we compared the bond length and ADMP calculations with DFT (B3LYP) at 6-311G(d,p) level, which is further suggestive of the higher reactivity of Eugenol over Carvacrol. Therefore Eugenol could have predominant role to cure various diseases as it is known to possess several pharmacological properties such as anaesthetic, antioxidant, antimicrobial, anti-inflammatory, anticarcinogenic, antifumigant, and antirepellent etc.
Keyword: Vibrational frequencies; DFT; Carvacrol; Eugenol; IR; Bond length
DOI: https://doi.org/10.31838/ijpr/2019.11.01.014
Download: Request For Article
 




ONLINE SUBMISSION
USER LOGIN


Username
Password
Login | Register
News & Events
SCImago Journal & Country Rank

Terms and Conditions
Disclaimer
Refund Policy
Instrucations for Subscribers
Privacy Policy

Copyrights Form

0.12
2018CiteScore
 
8th percentile
Powered by  Scopus
Google Scholar

hit counters free