X-ray Diffraction Studies of Chlorinated Dibenzo-<i>p</i>-dioxins

Boer, F. P.; Neuman, Melvin A.; Remoortere, F. P. Van; North, P. P.; Rinn, H. W.

doi:10.1021/ba-1973-0120.ch003

Cited by 21 publications

(19 citation statements)

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“…In the crystals, the dioxin molecules are nearly planar, although some atoms including Cl atoms deflect from the plane. Thus in di- 16 ). E-mail: gast@cc.nifhi.ac.ru (E A Gastilovich) hexachlorodioxin molecules, 17 the angle between the C7Cl bond and the plane amounts to 3 ± 4 8, while in mono-, 14,16 octa- 16,18 and tetrachlorodioxins, 15,16,19 this angle does not exceed 2 8.…”

Section: Molecular and Electronic Structure Of Dioxins 1 Molecular St...mentioning

confidence: 96%

“…Thus in di- 16 ). E-mail: gast@cc.nifhi.ac.ru (E A Gastilovich) hexachlorodioxin molecules, 17 the angle between the C7Cl bond and the plane amounts to 3 ± 4 8, while in mono-, 14,16 octa- 16,18 and tetrachlorodioxins, 15,16,19 this angle does not exceed 2 8. The C7Cl bond length in mono-, di-and hexachlorodioxin molecules varies from 1.69 to 1.75 # A.…”

Section: Molecular and Electronic Structure Of Dioxins 1 Molecular St...mentioning

confidence: 96%

“…In the 2,3,7,8tetrachlorodibenzo-p-dioxin (b-TCDD), { the oxygen atoms deflect slightly from the plane through the four carbon atoms in different directions, thus forming a `chair' configuration of the central fragment. 16 However, the angle of deflection is only 0.8 8.…”

Section: Molecular and Electronic Structure Of Dioxins 1 Molecular St...mentioning

confidence: 98%

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Optical spectra and photophysical properties of polychlorinated dibenzo-p-dioxin derivatives

Gastilovich¹,

Klimenko²,

Korol’kova³

et al. 2000

Russ. Chem. Rev.

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Published data on the optical spectra and theoretical Published data on the optical spectra and theoretical investigations of dioxins, polychlorinated derivatives of dibenzo-investigations of dioxins, polychlorinated derivatives of dibenzop p-dioxin, which are well-known environmental toxins, are gener--dioxin, which are well-known environmental toxins, are generalised. The geometrical and electronic structures of the molecules alised. The geometrical and electronic structures of the molecules and their vibrational and electronically excited states are consid-and their vibrational and electronically excited states are considered. The influence of the number and positions of chlorine atoms ered. The influence of the number and positions of chlorine atoms in dioxin molecules on the optical spectra (IR and UV absorption, in dioxin molecules on the optical spectra (IR and UV absorption, fluorescence and phosphorescence spectra), in particular, on the fluorescence and phosphorescence spectra), in particular, on the low-temperature fine-structure phosphorescence spectra of solid low-temperature fine-structure phosphorescence spectra of solid solutions and on the photophysical deactivation of triplet elec-solutions and on the photophysical deactivation of triplet electronic states are discussed. The results of the use of optical tronic states are discussed. The results of the use of optical spectroscopy for identification and quantification of dioxins are spectroscopy for identification and quantification of dioxins are presented. The bibliography includes 108 references. presented. The bibliography includes 108 references.

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Section: Molecular and Electronic Structure Of Dioxins 1 Molecular St...mentioning

confidence: 96%

Section: Molecular and Electronic Structure Of Dioxins 1 Molecular St...mentioning

confidence: 96%

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Optical spectra and photophysical properties of polychlorinated dibenzo-p-dioxin derivatives

Gastilovich¹,

Klimenko²,

Korol’kova³

et al. 2000

Russ. Chem. Rev.

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“…The molecular structure of dioxins can be determined by single crystal X-ray diffraction crystallography. The structure of TCDD in crystal which is also observed in molecular crystal of poly aromatic hydrocarbon (PAHs) [10].…”

Section: Dioxinsmentioning

confidence: 89%

Dioxins and Furans: Emerging Contaminants of Air

Zubair¹,

Adrees²

2019

Air Pollution - Monitoring, Quantification and Removal of Gases and Particles

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Dioxins and furans are classified highly contaminating toxic chemicals having serious effect on human health. This chapter begins with a brief summary on the formation, occurrence and toxicity of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) with their potential health effects, mitigation measures of these harmful compounds. Depending on position of chlorine atoms on aromatic rings, about 210 chemically different PCDD/PCDFs known as "congener" are present in the environment. The expected biological activity of PCDD/PCDFs is expressed relatively to the activity of 2,3,7,8-tetrachloro-dibenzo-p-dioxin (TCDD) using a common metric. TCDD is the most biologically potent among all the congeners. Toxic level of a mixture of PCDD/PCDFs is therefore expressed in TCDD toxicity equivalents or TEQs. There are two mechanisms for the formation of dioxins and furans, one from precursors and other by de novo synthesis. PCDD/PCDFs followed a mechanism which uses macromolecule carbon and chlorine in fly ash to form dioxins at low temperature. There are various sources of the formation of PCDD/PCDFs like hospital waste incinerators, industrial combustion and burning of domestic waste. Dioxins and furans have very harmful effects on the human health causing cancer, diabetes, neurotoxicity, immunotoxicity and chloracne. It has been experienced that hybrid method secure a sustainable future for the incinerators and PCDD/PCDFs removal technologies. This chapter will help the researchers and practitioners for better understanding and decision making for future research to establish a sustainable PCDD/PCDFs free life.

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“…Single-crystal X-ray structure determinations serve as a bench mark which can be used to identify PCDD compounds from powder X-ray diffraction (XRD), GC, GC/MS, and MS data (10,11). Powder XRD data derived from those PCDD's for which single-crystal structure determinations have been completed provide useful fingerprint data to check materials suspected of being PCDD's or mixtures of PCDD's.…”

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confidence: 99%