同步辐射核共振振动能谱学(上)：原理篇  

Synchrotron radiation based nuclear resonant vibrational spectroscopy:Introduction

作　　者：王宏欣 周朝晖[3] 徐伟[4] 

机构地区：[1]劳伦兹·伯克利国家实验室美国加州伯克利94720 [2]加州大学戴维斯分校化学系美国加州戴维斯95616 [3]厦门大学化学化工学院,厦门361005 [4]中国科学院高能物理研究所,北京100049

出　　处：《物理》2014年第9期579-588,共10页Physics

摘　　要：核共振振动能谱学(简称核振能谱)是一种以同步辐射为实验基础的新型的振动能谱学方法。与红外、拉曼等传统的振动光谱学方法相比,核振能谱在理论上和实验上具有一系列突出的特点和优越性,从而在各学科,特别是在铁基化学和铁基生物化学的研究中有着广泛的应用。文章分为上下两篇,上篇介绍核振能谱的基本概念、基本理论、实验方法和实验条件等基础内容,并以简单的四氯化铁离子([FeCl4]-)为例,演示由原始核振能谱到振动态密度函数(PVDOS)的分析流程。在选材上,文章侧重先进性、代表性和实用性;在叙述上,考虑到非同步辐射专业研究者的阅读需要,文章突出实验科学和应用科学的内容,力求简单明了、通俗易懂。下篇将系统介绍该能谱学方法在化学与生物化学中的应用实例。Nuclear resonant vibrational spectroscopy （NRVS） is a synchrotron radiation based and relatively new vibrational spectroscopy. It has great potential in studying iron-specific chemistry and biochemistry due to its theoretical and experimental advantages compared with tradi-tional Fourier transform infrared and resonant Raman spectroscopy. This article is divided into two parts, with the second part to appear in the next issue. In this issue, we will introduce the basic con-cepts and theory of NRVS, as well as its experimental methods and instruments. The procedure to obtain the partial vibrational density of states （PVDOS） from a raw NRVS spectrum will also be il-lustrated using the simple chemical ion [FeCl4]-as an example. The topics are selected according to their novelty, relevance and practical applications, and the discussions are organized for easy comprehension by nonspecialists. In the next issue, we will focus on the chemical and biochemical applications of NRVS.

关 键 词：核共振振动能谱学(简称核振散射) 核散射 X射线非弹性散射 振动态密度函数 简正模态分析 密度泛函理论 

分 类 号：O582[理学—物理]