1,3,5,7-Octatetraene

Woods, G. Forrest; Schwartzman, Louis H.

doi:10.1021/ja01172a073

Cited by 43 publications

(6 citation statements)

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“…trans,trans-2,7-Dimethyl-l,3,5,7-octatetraene exhibits a clean NMR spectra consistent with the assigned structure, as well as ir and uv data almost identical with those of trans,trans-1,3,5,7-octatetraene. 15 NMR examination of the dienediyne showed a very clean spectra consistent with the assigned structure and suggestive of only one product. Since hydroboration of 2,4hexadiyne gives the cis vinylborane, the mercurial dimerization product is presumably (£,E)-4,5-diethylidene-2,6-octadiyne.…”

Section: Resultsmentioning

confidence: 55%

Mercury in organic chemistry. 7. A convenient synthesis of symmetrical conjugated dienes and polyenes

Larock¹

1976

J. Org. Chem.

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Section: Resultsmentioning

confidence: 55%

Mercury in organic chemistry. 7. A convenient synthesis of symmetrical conjugated dienes and polyenes

Larock¹

1976

J. Org. Chem.

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“…Figure 4 shows the absorption spectra for polyenes of different sequence lengths. Most reference spectra are given for polyenes in solution 7, 10–13. Unlike solution polyenes, the polyenes in our irradiated samples are solid, and part of a long chain that contains chlorine atoms.…”

Section: Resultsmentioning

confidence: 99%

Real-time monitoring of laser photochemical reactions of polyvinylchloride

Sheu

Imen

Allen

2000

J. Appl. Polym. Sci.

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The formation of conjugated double bonds in polyvinylchloride (PVC) films by ultraviolet (UV) irradiation is analyzed using an in situ laser‐monitoring technique we have developed to measure changes in transmittance of thin UV‐irradiated PVC films. Conjugated polyenes of different lengths are produced by laser irradiation at 193 and 248‐nm wavelengths. This technique promises to have broader applications in the study of polymer reaction mechanisms and kinetics. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 77: 59–63, 2000

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“…For instance, in the last 50 years or so, the k max values of the homologous series of polyenes 1 (see Table 1) have been widely used [51,52] to discuss electronic transition energies in polyenes. Mainly the absorption spectra published in 1961 by Sondheimer et al [54] were used, complemented by data for butadiene [56] and octatetraene [57]. Beyond these k max values, we have collected the maxima of single sub-bands (vibronic transitions).…”

Section: Sources Of Disparity Between Calculated Transition Energies mentioning

confidence: 99%

“…Mainly the absorption spectra published in 1961 by Sondheimer et al . were used, complemented by data for butadiene and octatetraene . Beyond these λ max values, we have collected the maxima of single sub‐bands (vibronic transitions).…”

Section: Molecular Electronic Spectroscopymentioning

confidence: 99%

“…In this case, one has to identify this vibration in order to be able to discuss structural influences on the vibrational fine structure of the absorption spectra. For instance, in the case of polyenes (

\overset{ν}{true}

≈ 1450 cm −1 ) and cyanines (

\overset{ν}{true}

≈ 1200 cm −1 ), the dominant vibration in S 1 is the totally symmetric C=C valence vibration, and for azobenzenes it is the totally symmetric N=N valence vibration (

\overset{ν}{true}

≈ 1300 cm −1 ).…”

Section: Molecular Electronic Spectroscopymentioning

confidence: 99%

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Molecular electronic spectroscopy: from often neglected fundamental principles to limitations of state‐of‐the‐art computational methods

Mustroph

Ernst

Senns

et al. 2015

Coloration Technology

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The creation of the first synthetic dyes not only stimulated the hunt for new colorants but also drove the search for rules correlating the constitution of organic compounds with their colour. Dye chemistry additionally facilitated the development of molecular electronic spectroscopy as well as theories of molecular electronic structure and electronic transitions. Powerful quantum chemical computational tools are now available for the prediction of the electronic structure and spectroscopic characteristics of organic compounds. Such methods are thus useful in designing new functional colorants and aiding interpretation of their properties. However, without a deep appreciation of the principles and assumptions behind the calculations, one runs the risk of misunderstanding what can be achieved as well as becoming confused about how the outputted electronic and vibronic transition data correspond to observed absorption spectra. This review therefore aims to cover fundamentals of electronic spectroscopy that are often overlooked and enable the dye chemist using modern computational methods to comprehend the subtle differences in the types of transition energy value that such software can generate. In addition, the limitations of these methods in predicting absorption maxima and intensities of real-world colorants will be discussed in the context of physical influences on absorption band position and shape, for example from the perspective of different forms of the Franck-Condon principle. In essence, the goal of this review is to clarify, in terms that practical dye chemists will understand, what computational methods can predict and how valid these predictions are compared with reality.

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1,3,5,7-Octatetraene

Cited by 43 publications

References 0 publications

Mercury in organic chemistry. 7. A convenient synthesis of symmetrical conjugated dienes and polyenes

Mercury in organic chemistry. 7. A convenient synthesis of symmetrical conjugated dienes and polyenes

Real-time monitoring of laser photochemical reactions of polyvinylchloride

Molecular electronic spectroscopy: from often neglected fundamental principles to limitations of state‐of‐the‐art computational methods

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