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Document Details
Document Type
:
Article In Journal
Document Title
:
Normal Coordinate Analysis and Infrared Band Intensities of I-Jitromethane and Nitromethane-D3
التقدير الكمي للاهتزازات الجزيئية وشدة امتصاص عصابات الاهتزاز في طيف الأشعة تحت الحمراء لجزئ نيتروميثان وثلاثي ديتيرونيتروميثان
Subject
:
Chemistry
Document Language
:
English
Abstract
:
Laser Raman and Infrared (60-3500 cm -1 spectra of nitromethane and nitromethane-d3, in their standard states are discUssed. Complete and unambiguous assignment of all observed vibrational bands of nitromethane are made on the basis of the results of the calculated normal modes, isotope frequency shifts and calculated quantum values of infrared band intensities. Infrared band intensities are calculated using INDO semiempirical quantum chemical method. The torsion mode of vibration of the CH3 group was detected at 144cm -1. This indicates the presence ofa sort of association between nitromethane molecules in the liquid state. A set of force constants for nitromethane is developed and refined using the least square fit method.
ISSN
:
1012-1319
Journal Name
:
Science Journal
Volume
:
7
Issue Number
:
1
Publishing Year
:
1415 AH
1995 AD
Number Of Pages
:
12
Article Type
:
Article
Added Date
:
Sunday, October 11, 2009
Researchers
Researcher Name (Arabic)
Researcher Name (English)
Researcher Type
Dr Grade
Email
ممدوح سيد سليمان
MAMDOUH SAYED SOLIMAN
Researcher
Files
File Name
Type
Description
22595.pdf
pdf
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