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对称陀螺分子NH3的高温谱线强度研究
  • ISSN号：1000-3290
  • 期刊名称：《物理学报》
  • 时间：0
  • 分类：O561.1[理学—原子与分子物理;理学—物理] O433.54[机械工程—光学工程;理学—光学;理学—物理]
  • 作者机构：[1]贵州师范大学理学院,贵阳550001, [2]安庆师范学院物理与电气工程学院,安庆246133, [3]西南民族大学信息工程学院,成都610041, [4]四川大学原子与分子物理研究所,成都610065
  • 相关基金：国家自然科学基金（批准号：10676025）和贵州省教育厅自然科学基金（批准号：2006204）资助的课题.
作者： 宋晓书[1], 余春日[2], 闫安英[3], 程新路[4], 杨向东[4]
关键词： 高温光谱, 对称陀螺分子, 配分函数, 氨, high-temperature spectra,symmetric-top molecule,partition function,ammonia
中文摘要：

在直接计算分子配分函数的基础上,将无转动跃迁偶极矩平方近似为一常数,计算了对称陀螺分子NH30300a—0000s跃迁在高温下的线强度.在296K,计算的分子总配分函数与HITRAN数据库的结果符合很好,只有0.19%的百分误差.计算的跃迁线强度在2000K和3000K的高温与HITRAN数据库的结果也符合相当好,最大百分误差分别为-0.65%和-1.77%.这就表明分子配分函数和线强度的高温计算是可靠的.在此基础上,计算被扩展到更高温度,报道了对称陀螺分子NH30300a—0000s跃迁在极端高温4000和5000K的模拟光谱.计算结果对大气分子高温光谱的实验测量和理论研究均有一定的参考价值.

英文摘要：

The line intensities of 0300 a—0000 s transition of the symmetric-top NH3 molecule at high temperature were obtained by directly calculating the partition functions while regarding the rotationless transition dipole moment squared as a constant.The calculated values of the total internal partition sums（TIPS） are consistent with the data of HITRAN database within 0.19% at 296 K.The calculated line intensities data at 2000 K and 3000 K are also in excellent agreement with the data in HITRAN database with discrepancies less than -0.65% and -1.77%,which strongly supports the calculations of partition function and line intensity at high temperature.Then we extended the calculation to higher temperature.The line intensities and simulated spectra of 3ν2 band of the symmetric-top NH3 molecule at 4000 K and 5000 K were reported.The results are of significance for the study of the high-temperature molecular spectra in experiment and in theory.

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期刊信息
  • 《物理学报》
  • 北大核心期刊（2011版）
  • 主管单位:中国科学院
  • 主办单位:中国物理学会 中国科学院物理研究所
  • 主编：欧阳钟灿
  • 地址：北京603信箱(中国科学院物理研究所)
  • 邮编：100190
  • 邮箱：apsoffice@iphy.ac.cn
  • 电话：010-82649026
  • 国际标准刊号：ISSN：1000-3290
  • 国内统一刊号：ISSN：11-1958/O4
  • 邮发代号:2-425
  • 获奖情况:
  • 1999年首届国家期刊奖,2000年中科院优秀期刊特等奖,2001年科技期刊最高方阵队双高期刊居中国期刊第12位
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  • 被引量:49876