A molecular model for dielectric shifts in infrared spectra of pure liquid phases and vapor pressure isotope effects

1984 ◽  
Vol 80 (7) ◽  
pp. 3087-3090
Author(s):  
Max Wolfsberg
Keyword(s):  
Vapor Pressure ◽  
Infrared Spectra ◽  
Molecular Model ◽  
Isotope Effects ◽  
Pure Liquid ◽  
Liquid Phases

Estimates of Dielectric Shifts in Infrared Spectra of Pure Liquids for Use in the Theoretical Evaluation of Vapor Pressure Isotope Effects

1983 ◽  
Vol 38 (2) ◽  
pp. 191-195 ◽  
Author(s):  
Bärbel Maessen ◽  
Max Wolfsberg
Keyword(s):  
Excited State ◽  
Vapor Pressure ◽  
Infrared Spectra ◽  
Simple Formula ◽  
Vibrational Energy ◽  
Isotope Effects ◽  
Zero Point ◽  
Theoretical Evaluation ◽  
Dielectric Effect ◽  
Zero Point Vibrational Energy

Abstract Observed fundamentals in infrared spectra of pure liquids are red-shifted by the so-called "dielectric effect". This dielectric shift is an excited state effect, and the observed fundamentals must be corrected before one deduces the isotope effects on the zero-point vibrational energy which are needed in the theoretical evaluation of vapor pressure isotope effects. A simple formula is applied to calculate the dielectric shift, which requires only the molar concentration and the integrated absorption coefficient for the fundamental.

Effect of the chain length on near-infrared spectra of 1-alcohols from methanol to 1-decanol

NIR news ◽  
2019 ◽  
Vol 30 (3) ◽  
pp. 6-8
Author(s):  
Mirosław Antoni Czarnecki ◽  
Michał Kwaśniewicz
Keyword(s):  
Principal Component Analysis ◽  
Chain Length ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Principal Component ◽  
Pure Liquid ◽  
Chemometric Methods ◽  
Near Infrared Spectra ◽  
Similarities And Differences ◽  
Self Association

This work shows the effect of the chain length on near-infrared spectra of 1-alcohols and is based on a recent paper by Kwaśniewicz and Czarnecki ( Appl Spectrosc 2018, 72: 288). Near-infrared spectra of 1-alcohols from methanol to 1-decanol in the pure liquid phase were recorded from 5200 to 9000 cm−1. The similarities and differences between the spectra were analyzed by the classical and chemometric methods (principal component analysis). The obtained results reveal that the near-infrared spectra of methanol, ethanol, and 1-propanol are appreciably different from the spectra of higher 1-alcohols. As shown, the degree of self-association of 1-alcohols decreases with the increase in the chain length.

Vapor pressure isotope effects in liquid methyl fluoride

1983 ◽  
Vol 87 (16) ◽  
pp. 3153-3160 ◽  
Author(s):  
Takao Oi ◽  
Jan Shulman ◽  
Anthony Popowicz ◽  
Takanobu Ishida
Keyword(s):  
Vapor Pressure ◽  
Isotope Effects ◽  
Methyl Fluoride

Medium cluster model for vapor pressure isotope effects

1977 ◽  
Vol 66 (10) ◽  
pp. 4433-4441 ◽  
Author(s):  
J. S. Pollin ◽  
Takanobu Ishida
Keyword(s):  
Vapor Pressure ◽  
Cluster Model ◽  
Isotope Effects

Vapor pressure isotope effects in methanol

1971 ◽  
Vol 75 (12) ◽  
pp. 1815-1820 ◽  
Author(s):  
J. L. Borowitz ◽  
Fritz S. Klein
Keyword(s):  
Vapor Pressure ◽  
Isotope Effects
Sign in / Sign up

Export Citation Format

Share Document