Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XV

1989 ◽  
Vol 43 (6) ◽  
pp. 1004-1008 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Infrared Spectra ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Argon Matrix ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir ◽  
Oil Components ◽  
Search Routine

Matrix isolation Fourier transform infrared spectra (MI/FT-IR) of a series of essential oil components have been described. Clear, well-defined differences were detected in the MI/FT-IR spectra of compounds having minor differences in their structure. A library search routine was found to correctly identify components of interest when visual differences were not clearly evident. The presence of discrete conformers in the argon matrix resulted in the presence of split absorptions in the carbonyl band for selected compounds.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part VIII

1988 ◽  
Vol 42 (2) ◽  
pp. 304-309 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Organic Compounds ◽  
Vapor Phase ◽  
Infrared Spectra ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Argon Matrix ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir

Matrix isolation Fourier transform infrared (MI/FT-IR) data has been presented that documents the presence of discrete conformers in an argon matrix for a series of ketones. The distribution of conformers in the matrix was related to the structure of the molecule, in that rigid structures (i.e., small rings, bicyclic systems, and unsaturated systems) displayed simple carbonyl absorption patterns relative to those of their less rigid counterparts. Also, conformer isolation was seen for halosubstituted ketones. These results are in agreement with previous findings concerning the vapor-phase (VP) spectra of these molecules.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds. Part XIV: Evaluation of Library Search Routines for Identification of Essential Oil Components

1989 ◽  
Vol 43 (6) ◽  
pp. 998-1003 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Infrared Spectra ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Absolute Difference ◽  
Citronella Oil ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir ◽  
Lemon Oil

A set of five search routines—absolute difference, absolute derivative, square difference, square derivative, and Euclidean difference—have been applied to the analysis of the matrix isolation/Fourier transform-infrared spectra (MI/FT-IR) of the components of four essential oils: coriander oil, lemon oil, geranium oil, and citronella oil. The routines were tested under a variety of parameters on a diverse set of compounds and IR spectra. Areas of acceptable performance by the routines as well as areas of marginal performance are discussed. Under the conditions of this study, the absolute derivative routine is judged to be the most acceptable of the five.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XII

1989 ◽  
Vol 43 (2) ◽  
pp. 298-304 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon ◽  
Brian M. Lawrence
Keyword(s):  
Fourier Transform ◽  
Ir Spectra ◽  
Infrared Spectra ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir ◽  
Nanogram Level ◽  
C Nmr

Matrix isolation Fourier transform infrared spectra (MI/FT-IR), mass spectra (MS), carbon-13 Nuclear Magnetic Resonance (13C-NMR) spectra, condensed-phase infrared spectra, and vapor-phase infrared (IR) spectra are presented for a series of terpene compounds. Subtle differences in positional and configurational isomers commonly found with terpenes could be easily detected by the MI/FT-IR spectra. The results are comparable in some aspects to those obtainable from 13C-NMR and thin-film IR; however, most importantly, they are acquired at the low nanogram level for MI/FT-IR, as compared to the milligram level for the other techniques. These results represent an advance in the technology available for the analysis of complex mixtures such as essential oils containing terpene-like molecules.

Gas Chromatographic/Matrix Isolation/Fourier Transform Infrared Spectra of the Laterally Chlorinated Dibenzo-p-Dioxins and Dibenzofurans

1989 ◽  
Vol 43 (8) ◽  
pp. 1317-1324 ◽  
Author(s):  
Charles J. Wurrey ◽  
Billy J. Fairless ◽  
Harry E. Kimball
Keyword(s):  
Fourier Transform ◽  
Infrared Spectra ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Fourier Transform Infrared Spectra ◽  
Reference Quality ◽  
Ft Ir ◽  
Chlorinated Dioxins ◽  
Chromatographic Matrix ◽  
Ft Ir Spectroscopy

Reference-quality gas chromatographic/matrix isolation/Fourier transform infrared spectra have been recorded for the following fifteen compounds, which collectively are referred to as the “laterally” chlorinated dibenzo- p-dioxins and dibenzofurans: 2,3,7,8-tetrachlorodibenzo- p-dioxin (2,3,7,8-TCDD); 1,2,3,7,8-pentachlorodibenzo- p-dioxin (1,2,3,7,8-PeCDD);l,2,3,4,7,8-hexachlorodibenzo- p-dioxin(1,2,3,4,7,8-HxCDD)>; 1,2,3,6,7,8,-hexachlorodibenzo- p-dioxin(1,2,3,6,7,8-HxCDD); 1,2,3,7,8,9-hexachlorodibenzo- p-dioxin (1,2,3,7,8,9-HxCDD); 1,2,3,4,6,7,8-heptachlorodibenzo- p-dioxin (1,2,3,4,6,7,8-HpCDD); 2,3,7,8-tetrachlorodibenzofuran (2,3,7,8-TCDF); 1,2,3,7,8-pentachlorodibenzofuran (1,2,3,7,8-PeCDF); 2,3,4,7,8-pentachlorodibenzofuran (2,3,4,7,8-PeCDF); 1,2,3,4,7,8-hexachlorodibenzofuran(1,2,3,4,7,8-HxCDF); 1,2,3,6,7,8-hexachlorodibenzofuran (1,2,3,6,7,8-HxCDF); 1,2,3,7,8,9-hexachlorodibenzofuran (1,2,3,7,8,9-HxCDF); 2,3,4,6,7,8-hexachlorodibenzofuran (2,3,4,6,7,8-HxCDF); 1,2,3,4,6,7,8-heptachlorodibenzofnran (1,2,3,4,6,7,8-HpCDF); and 1,2,3,4,7,8,9-heptachlorodibenzofuran (1,2,3,4,7,8,9-HpCDF). These spectra are discussed qualitatively and, for the laterally chlorinated dioxins, are compared to previously recorded gas-phase GC/FT-IR spectra. Estimates of the instrumental detection limits for these compounds, using matrix isolation GC/FT-IR spectroscopy, were found to fall in the mid-to-high picogram and low nanogram ranges.

Examination of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part III

1987 ◽  
Vol 41 (7) ◽  
pp. 1163-1169 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Solid State ◽  
Vapor Phase ◽  
Infrared Spectra ◽  
Steric Hindrance ◽  
Fourier Transform Infrared ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir ◽  
Carbonyl Absorption

Matrix-isolated (MI) Fourier transform infrared spectra (FT-IR) have been collected on a series of esters and ketones. The values for the carbonyl absorption are intermediate between the values for vapor-phase (VP) and solid-state (SS) phases. The spectra reveal a splitting or broadening of the carbonyl absorption in the majority of cases for both compound types. The splitting, on the order of 5 to 10 cm−1, does not appear to be a function of concentration at ≤20 ng on the cryogenic disk. The splitting is also not unequivocally due to steric hindrance about the carbonyl group. Compounds with liner as well as branched substituents display spectra having split carbonyl absorptions. Isolation of molecules within multiple types of matrix sites is advanced as the predominant cause of the splitting phenomenon. Implications and consequences of the observed splitting are discussed.

Examination of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part IV

1987 ◽  
Vol 41 (7) ◽  
pp. 1169-1172 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Infrared Spectra ◽  
Substituent Effects ◽  
Fourier Transform Infrared ◽  
Band Broadening ◽  
Aromatic Rings ◽  
Fourier Transform Infrared Spectra ◽  
The Matrix ◽  
Ft Ir ◽  
Carbonyl Absorption

Matrix-isolated (MI) Fourier transform infrared spectra (FT-IR) have been collected on a series of aldehydes and acids. The values for the carbonyl absorption are intermediate between the higher values for vapor-phase (VP) and lower values for solid-state (SS) phases. Substituent effects on aromatic rings induce shifts in carbonyl absorptions in the same manner as found in VP and SS studies. The magnitude of the shifts is approximately the same for all three phases. The spectra reveal a splitting or broadening of the carbonyl absorption for both aldehydes and acids. The size of the molecule affects the degree of band broadening. In certain cases discrete conformers appear to have been isolated in the matrix.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XVII

1989 ◽  
Vol 43 (8) ◽  
pp. 1424-1427 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Quantitative Analysis ◽  
Matrix Isolation ◽  
Complex Mixture ◽  
Fourier Transform Infrared ◽  
Mass Range ◽  
Infrared Spectrometry ◽  
Flame Ionization ◽  
The Matrix ◽  
Ft Ir

Qualitative and quantitative analysis of compounds in a complex mixture by gas chromatography/matrix isolation/Fourier transform infrared spectrometry (GC/MI/FT-IR) is described. The carbon-deuterium stretching mode was characterized and used for analysis since it has a unique position in the infrared spectrum. Compounds of varying functionalities were examined over a concentration range from 6 to 50 ng. Linear responses over this mass range were obtained. Flame ionization detection was used for collaborative detection in establishing the linearity of the responses. These results represent the first use of GC/MI/FT-IR for quantitative analysis of compounds in a complex mixture using deuterium-labeled analogues.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XVI

1989 ◽  
Vol 43 (6) ◽  
pp. 1008-1016 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Ir Spectra ◽  
Vapor Phase ◽  
Infrared Spectra ◽  
Condensed Phase ◽  
Matrix Isolation ◽  
Absorption Bands ◽  
Argon Matrix ◽  
The Matrix ◽  
The Impact

Information concerning the matrix isolation Fourier transform infrared spectra of a series of alkanes, esters, lactones, lactams, phenols, alcohols, amides, alkenes, and ketones is presented. A comparison between the characteristics of the spectra in two matrices (argon and xenon) as well as in the absence of any matrix (bare gold disk) is drawn. The impact of these matrices on the characteristics of the IR spectra is compared with the impact observed when spectra are gathered in the vapor phase as well as the condensed phase/solid state. For the majority of compounds studied, the major absorption bands of each class of compound fall between higher values for the vapor phase and lower values for the condensed phase when either argon or xenon is used as the matrix gas. The few exceptions are discussed. The absorption bands found in the xenon matrix are usually at a lower energy than are comparable bands in the argon matrix. In most all cases, the values of absorptions for compounds on the bare disk were lower than the comparable values found in the argon matrix. These results represent the first extensive study at 10 K of the effect of different matrix gas hosts and document the proposal that preconceptions of noble gases as inert hosts for the examination of FT-IR spectra at low temperature are not valid.

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part IX

1988 ◽  
Vol 42 (4) ◽  
pp. 666-670 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Organic Compounds ◽  
Infrared Spectra ◽  
Nearest Neighbor ◽  
Matrix Isolation ◽  
Fourier Transform Infrared ◽  
Absorption Bands ◽  
The Matrix ◽  
Chain Lengths

A series of β-diketones and alkenes have been examined by matrix isolation Fourier transform infrared spectroscopy. The matrix experiment readily detects the presence of extensive keto-enol tautomerization in selected β-diketones. Certain absorption bands in the IR could be used to estimate the extent of the tautomerization. The data gathered on the alkenes found their absorption bands to occur in the same regions (±5 cm−1) as those found for VP and SS phases. Minimal nearest-neighbor (aggregation) interactions were found. These results are in contrast to those found for aldehydes, ketones, and acids of similar chain lengths.

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