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Infrared studies on the spectra and ...

Cardenas, Rafael.

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Infrared studies on the spectra and structures of novel carbon molecules.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Infrared studies on the spectra and structures of novel carbon molecules./
Author:	Cardenas, Rafael.
Description:	234 p.
Notes:	Adviser: William R. Graham.
Contained By:	Dissertation Abstracts International68-12B.
Subject:	Physics, Molecular. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3294770
ISBN:	9780549397564

Infrared studies on the spectra and structures of novel carbon molecules.
Cardenas, Rafael.

Infrared studies on the spectra and structures of novel carbon molecules. - 234 p.

Adviser: William R. Graham.

Thesis (Ph.D.)--Texas Christian University, 2007.

Carbon clusters are formed in the laboratory by trapping the products from the Nd-YAG laser evaporation of graphite in argon matrices held at &sim;10 K. Linear carbon chains have been the subject of extensive theoretical and experimental studies over many years and are important in diverse areas as astrophysics, studies of the fullerenes, and the chemistry of fuel combustion. FTIR measurements of vibrational fundamentals and carbon-13 isotopic shifts, coupled with the predictions of theoretical density functional theory calculations and a recently developed theoretical tool, the deperturbation method have been successfully employed to identify long linear Cn (n ≥ 7) carbon chains. The development of a process to produce carbon rods highly enriched with 13C enabled the observation of well-resolved isotopic spectra of linear 13C n carbon clusters (n =3-18). The identifications are facilitated by the measurement of both the isotopic pattern for single 12C-substituted (12C13C n-1) isotopomers and the "mirror" isotopic pattern for single 13C-substituted (13C 12Cn-1) isotopomers. As a result of this work it is now routinely possible to achieve experimental reproducibility of isotopic shift patterns, which enables comparison with theoretical predictions. The combination of experimental improvements and theoretical results, has led to the identification of 13C isotopic shifts for sixteen vibrational fundamentals belonging to eight different long chains, C n (n ≥ 7) species. The fundamentals identified include the nu4(sigmau) = 2128.1 cm-1 mode of C7; the nu5(sigma u) = 2078.2, nu6(sigmau) = 1998.2, and nu7(sigmau) = 1601.0 cm-1 modes of C9; the nu6(sigma u) 2074.2 and nu7(sigmau) = 1915.7cm-1 modes of C10; the nu7(sigma u) = 1946.1, nu8(sigmau) = 1856.7, and nu9(sigmau) = 1360.0 cm-1 modes of C11; the nu5(sigma u) = 2071.4 and nu6(sigmau) = 1710.5 cm-1 modes of linear C8; the nu 7(sigmau) = 2140.6, nu8(sigma u) = 997.3 and nu9(sigma u) = 1817.9 cm-1 of linear C12; the nu 10(sigmau) = 1999.3 cm-1; mode of linear C15; and the nu12(sigma u) = 2001.0 cm-1 mode of linear C18. In addition, isotopomer absorptions have been identified for the following modes that are normally IR inactive until isotopic substitution when they become observable: nu1(sigmag) mode of C7, the nu1(sigmag) mode of C9,nu1(sigmag) and nu2(sigmag) mode of C 10, nu2(sigmag) and nu 1(sigmag) mode of C11, nu 3(sigmag) nu3(sigma g) modes C15 and the nu3(sigma g) mode of C18.

ISBN: 9780549397564Subjects--Topical Terms:

1018648
Physics, Molecular.

Infrared studies on the spectra and structures of novel carbon molecules.
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020 $a 9780549397564
035 $a (UMI)AAI3294770
035 $a AAI3294770
040 $a UMI $c UMI
100 1 $a Cardenas, Rafael. $3 1285535
245 1 0 $a Infrared studies on the spectra and structures of novel carbon molecules.
300 $a 234 p.
500 $a Adviser: William R. Graham.
500 $a Source: Dissertation Abstracts International, Volume: 68-12, Section: B, page: 8099.
502 $a Thesis (Ph.D.)--Texas Christian University, 2007.
520 $a Carbon clusters are formed in the laboratory by trapping the products from the Nd-YAG laser evaporation of graphite in argon matrices held at &sim;10 K. Linear carbon chains have been the subject of extensive theoretical and experimental studies over many years and are important in diverse areas as astrophysics, studies of the fullerenes, and the chemistry of fuel combustion. FTIR measurements of vibrational fundamentals and carbon-13 isotopic shifts, coupled with the predictions of theoretical density functional theory calculations and a recently developed theoretical tool, the deperturbation method have been successfully employed to identify long linear Cn (n ≥ 7) carbon chains. The development of a process to produce carbon rods highly enriched with 13C enabled the observation of well-resolved isotopic spectra of linear 13C n carbon clusters (n =3-18). The identifications are facilitated by the measurement of both the isotopic pattern for single 12C-substituted (12C13C n-1) isotopomers and the "mirror" isotopic pattern for single 13C-substituted (13C 12Cn-1) isotopomers. As a result of this work it is now routinely possible to achieve experimental reproducibility of isotopic shift patterns, which enables comparison with theoretical predictions. The combination of experimental improvements and theoretical results, has led to the identification of 13C isotopic shifts for sixteen vibrational fundamentals belonging to eight different long chains, C n (n ≥ 7) species. The fundamentals identified include the nu4(sigmau) = 2128.1 cm-1 mode of C7; the nu5(sigma u) = 2078.2, nu6(sigmau) = 1998.2, and nu7(sigmau) = 1601.0 cm-1 modes of C9; the nu6(sigma u) 2074.2 and nu7(sigmau) = 1915.7cm-1 modes of C10; the nu7(sigma u) = 1946.1, nu8(sigmau) = 1856.7, and nu9(sigmau) = 1360.0 cm-1 modes of C11; the nu5(sigma u) = 2071.4 and nu6(sigmau) = 1710.5 cm-1 modes of linear C8; the nu 7(sigmau) = 2140.6, nu8(sigma u) = 997.3 and nu9(sigma u) = 1817.9 cm-1 of linear C12; the nu 10(sigmau) = 1999.3 cm-1; mode of linear C15; and the nu12(sigma u) = 2001.0 cm-1 mode of linear C18. In addition, isotopomer absorptions have been identified for the following modes that are normally IR inactive until isotopic substitution when they become observable: nu1(sigmag) mode of C7, the nu1(sigmag) mode of C9,nu1(sigmag) and nu2(sigmag) mode of C 10, nu2(sigmag) and nu 1(sigmag) mode of C11, nu 3(sigmag) nu3(sigma g) modes C15 and the nu3(sigma g) mode of C18.
590 $a School code: 0229.
650 4 $a Physics, Molecular. $3 1018648
690 $a 0609
710 2 $a Texas Christian University. $b College of Science and Engineering. $3 1029121
773 0 $t Dissertation Abstracts International $g 68-12B.
790 $a 0229
790 1 0 $a Graham, William R., $e advisor
790 1 0 $a Quarles, Charles A. $e committee member
790 1 0 $a Rittby, Magnus M. $e committee member
790 1 0 $a Zerda, Tadeusz W. $e committee member
791 $a Ph.D.
792 $a 2007
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3294770