Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules
Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules
复制标题
解码不对称分子的纯旋转分子光谱
DOI：
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发表时间：
2012
期刊：
影响因子：
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通讯作者：
P. Ohring
中科院分区：
文献类型：
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作者：
S. Cooke;P. Ohring
旋转光谱可以为与天文学和生物学等不同领域相关的分子系统的波函数提供无与伦比的精度见解。在本文中，我们演示了如何使用简单的公式“形象地”分析不对称分子纯旋转光谱。结果表明，此类光谱的解释在很大程度上依赖于模式识别。近长形不对称旋转光谱中一些常见谱线位置的呈现提供了一种可以有效探索光谱分配和近似旋转常数确定的方法。为了帮助实现这一目标，我们创建了一个免费的支持网页和移动网页。
Rotational spectroscopy can provide insights of unparalleled precision with respect to the wavefunctions of molecular systems that have relevance in fields as diverse as astronomy and biology. In this paper, we demonstrate how asymmetric molecular pure rotational spectra may be analyzed “pictorially” and with simple formulae. It is shown that the interpretation of such spectra relies heavily upon pattern recognition. The presentation of some common spectral line positions in near-prolate asymmetric rotational spectra provides a means by which spectral assignment, and approximate rotational constant determination, may be usefully explored. To aid in this endeavor we have created a supporting, free, web page and mobile web page.