Influence and correction of peak shift and band broadening observed by rank analysis on vibrational bands from variable-temperature measurements

被引：11

作者：

Nodland, E

Libnau, FO

Kvalheim, OM

Luinge, HJ

Klaeboe, P

机构：

[1] UNIV UTRECHT,FAC CHEM,DEPT ANALYT MOLEC SPECTROMETRY,3508 TB UTRECHT,NETHERLANDS

[2] UNIV OSLO,DEPT CHEM,N-0315 OSLO,NORWAY

来源：

VIBRATIONAL SPECTROSCOPY | 1996年 / 10卷 / 02期

关键词：

peak shift; band broadening; infrared spectrometry; Raman spectrometry; rank analysis; variable-temperature measurements;

D O I：

10.1016/0924-2031(95)00044-5

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Variable-temperature infrared (IR) spectra of cyclohexane and IR and Raman spectra of chlorocyclohexane have been investigated by graphic eigenvalue analysis. Thermal effects known as peak shift and band broadening combined with heteroscedastic noise in vibrational bands are found to have severe influence on the interpretation of the outcome of rank analysis. Methods for correction of frequency shifts and band broadening in the spectral profiles due to temperature variation are developed and tested.

引用

页码：105 / 123

页数：19

共 19 条

[1] CONFORMATIONAL ANALYSIS .56. CHLOROCYCLOHEXANE AND 1-CHLORO-1-METHYLCYCLOHEXANE [J].