Synthesis of a doubly SO2-fused phlorin: Tuning the structure and properties by the SO2 groups

2018 ◽  
Vol 22 (09n10) ◽  
pp. 799-806
Author(s):  
Chengjie Li ◽  
Xiujun Liu ◽  
Jiewei Shao ◽  
Guangxian Su ◽  
Yongshu Xie
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectroscopy ◽  
Nmr Spectra ◽  
Molecular Conformation ◽  
Structure And Properties ◽  
X Ray ◽  
Ddq Oxidation

A doubly SO2-fused phlorin 4 has been synthesized by the [2 + 2] condensation of dipyrromethanecarbinol 2 and SO2-fused dipyrromenthane 3 in the presence of TFA, followed by DDQ oxidation. The SO2-fused phlorin 4 has been characterized by absorption, fluorescence, mass and NMR spectra, as well as X-ray analysis. Compared to the [Formula: see text]-unsubstituted phlorin 5, the SO2-fused phlorin 4 exhibits a red-shifted absorption spectrum (around 12 nm), a more distorted molecular conformation, as well as nice photostability even with an electron-donating meso-3,5-di-tert-butylphenyl group. The titration of 4 and 5 with TBAF has been monitored by absorption spectroscopy. The deprotonated phlorin 4 shows a peak at 870 nm which is red shifted by 26 nm compared to that of deprotonated 5.

scholarly journals Structure and bonding in Au(i) chloride species: a critical examination of X-ray absorption spectroscopy (XAS) data

RSC Advances ◽  
2015 ◽  
Vol 5 (9) ◽  
pp. 6912-6918 ◽  
Author(s):  
Sin-Yuen Chang ◽  
Akihiro Uehara ◽  
Samuel G. Booth ◽  
Konstantin Ignatyev ◽  
J. Frederick W. Mosselmans ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectroscopy ◽  
Critical Examination ◽  
X Ray ◽  
Structure And Bonding ◽  
X Ray Absorption

We determined a reliable Au(i) chloride X-ray absorption spectrum from dichlorobenzene solutions containing varying amounts of [AuCl2]−and [AuCl3OH]−.

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics

2016 ◽  
Vol 194 ◽  
pp. 117-145 ◽  
Author(s):  
Simon P. Neville ◽  
Vitali Averbukh ◽  
Serguei Patchkovskii ◽  
Marco Ruberti ◽  
Renjie Yun ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Absorption Spectroscopy ◽  
Vacuum Ultraviolet ◽  
Chemical Shifts ◽  
Structural Evolution ◽  
Time Resolved ◽  
X Ray ◽  
Wavepacket Dynamics ◽  
X Ray Absorption

The excited state non-adiabatic dynamics of polyatomic molecules, leading to the coupling of structural and electronic dynamics, is a fundamentally important yet challenging problem for both experiment and theory. Ongoing developments in ultrafast extreme vacuum ultraviolet (XUV) and soft X-ray sources present new probes of coupled electronic-structural dynamics because of their novel and desirable characteristics. As one example, inner-shell spectroscopy offers localized, atom-specific probes of evolving electronic structure and bonding (via chemical shifts). In this work, we present the first on-the-fly ultrafast X-ray time-resolved absorption spectrum simulations of excited state wavepacket dynamics: photo-excited ethylene. This was achieved by coupling the ab initio multiple spawning (AIMS) method, employing on-the-fly dynamics simulations, with high-level algebraic diagrammatic construction (ADC) X-ray absorption cross-section calculations. Using the excited state dynamics of ethylene as a test case, we assessed the ability of X-ray absorption spectroscopy to project out the electronic character of complex wavepacket dynamics, and evaluated the sensitivity of the calculated spectra to large amplitude nuclear motion. In particular, we demonstrate the pronounced sensitivity of the pre-edge region of the X-ray absorption spectrum to the electronic and structural evolution of the excited-state wavepacket. We conclude that ultrafast time-resolved X-ray absorption spectroscopy may become a powerful tool in the interrogation of excited state non-adiabatic molecular dynamics.

Übergangsmetallorganisch stabilisierte Indate und Germanate: Synthese, Struktur und Eigenschaften der Komplexe [{(CO)5M}EX3]2– (M = Cr, Mo, W; E = In; X = Cl, Br), [(CO5Cr)InBr(μ2-Br)]22– sowie [{(CO)5Cr}E(oxinat)2]n– (E = In, n = 2; E = Ge, n = 1) / Organometallically Protected Indates and Germanates: Synthesis, Structure and Properties of [{(CO)5M}EX3]2- (M = Cr, Mo, W; E = In; X = Cl, Br), [(CO5Cr)InBr(μ2-Br)]22- and [{(CO)5Cr}E(oxinat)2]n- (E = In, n = 2; E = Ge, n = 1)

2002 ◽  
Vol 57 (7) ◽  
pp. 757-772 ◽  
Author(s):  
Peter Rutsch ◽  
Gerd Renner ◽  
Gottfried Huttner ◽  
Steffen Sandhöfner
Keyword(s):  
Oxidation State ◽  
Nmr Spectra ◽  
Spectroscopic Techniques ◽  
Coordination Geometry ◽  
Structure And Properties ◽  
X Ray ◽  
Formal Oxidation State ◽  
Bromide Ions ◽  
New Compounds ◽  
First Time

A novel route to reactive In(I)-complexes [{(CO)5M}InXּTHF] (M = Cr, X = Cl, Br; M = Mo, X = Cl; M = Mo, X = Cl) is described. With an excess of tetraphenylphosphonium halides [Ph4P]X (X = Cl, Br) these compounds react to give trihaloindate-complexes [Ph4P]2ּ [{(CO)5M}InX3] (M = Cr, X = Cl: 1a, X = Br: 1b; M = Mo, X = Cl: 2; M = W, X = Cl: 3), which contain indium in a formal oxidation state of +I. The reaction of equimolar ammounts of [{(CO)5Cr}InBrּTHF] and bromide ions gives the bridged, dinuclear compound [{(CO)5Cr}InBr(μ2-Br)]22- (4). 4 is an intermediate in the reaction of [{(CO)5Cr}InBrּTHF] to [{(CO)5Cr}InBr3]2-, 1b. Reaction of sodium-8-hydoxychinolate and [{(CO)5Cr}InClּTHF] produces the anion [{(CO)5Cr}In(oxinat)2]- (5) which contains In(+I) in a square pyramidal coordination geometry. [{(CO)5Cr}GeI3]-, which is isoelectronic to 1-3, reacts with 8-hydroxyquinoline to produce [{(CO)5Cr}Ge(oxinat)2] (6) which is isoelectronic to 5. All new compounds have been characterized by X-ray analysis and by the usual analytic and spectroscopic techniques. 115In NMR spectra of M(CO)5 substituted indium species (M = Cr, Mo, W) are reported for the first time.

Chemical and structural applications of X-ray absorption spectroscopy in mineralogy

1989 ◽  
Vol 86 ◽  
pp. 1533-1545 ◽  
Author(s):  
A. Manceau ◽  
J.M. Combes ◽  
G. Calas
Keyword(s):  
Absorption Spectroscopy ◽  
X Ray ◽  
Structural Applications ◽  
X Ray Absorption

X-RAY ABSORPTION SPECTROSCOPY STUDY OF Cu-BASED METHANOL CATALYSTS. 2. REDUCED STATE

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-237-C8-242 ◽  
Author(s):  
B. S. CLAUSEN ◽  
B. LENGELER ◽  
B. S. RASMUSSEN ◽  
W. NIEMANN ◽  
H. TOPSØE
Keyword(s):  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
X Ray Absorption ◽  
Reduced State

GAS PHASE X-RAY ABSORPTION SPECTROSCOPY WITH AN ELECTRON YIELD DETECTOR

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-149-C8-151
Author(s):  
F. W. LYTLE ◽  
R. B. GREEGOR ◽  
G. H. VIA ◽  
J. M. BROWN ◽  
G. MEITZNER
Keyword(s):  
Gas Phase ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
Electron Yield ◽  
X Ray Absorption
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