Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations

2010 ◽  
Vol 6 (11) ◽  
pp. 3403-3409 ◽  
Author(s):  
Paola Lupieri ◽  
Emiliano Ippoliti ◽  
Piero Altoè ◽  
Marco Garavelli ◽  
M. Mwalaba ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Spectroscopic Properties ◽  
Caspt2 Calculations

scholarly journals Time-Resolved Spectroscopic Study of N,N–Di(4–bromo)nitrenium Ions in Acidic Aqueous Solution

2019 ◽  
Vol 20 (21) ◽  
pp. 5512 ◽  
Author(s):  
Lili Du ◽  
Zhiping Yan ◽  
Xueqin Bai ◽  
Runhui Liang ◽  
David Lee Phillips
Keyword(s):  
Aqueous Solution ◽  
Transient Absorption ◽  
Function Theory ◽  
Spectroscopic Properties ◽  
Time Resolved ◽  
Nitrenium Ions ◽  
Acidic Aqueous Solution ◽  
Nitrenium Ion ◽  
Femtosecond Transient Absorption ◽  
Aqueous Conditions

Nitrenium ions are common reactive intermediates with high activities towards some biological nucleophiles. In this paper, we employed femtosecond transient absorption (fs-TA) and nanosecond transient absorption (ns-TA) as well as nanosecond time-resolved resonance Raman (ns-TR3) spectroscopy and density function theory (DFT) calculations to study the spectroscopic properties of the N(4,4′–dibromodiphenylamino)–2,4,6–trimethylpyridinium BF4− salt (1) in an acidic aqueous solution. Efficient cleavage of the N–N bond (4 ps) to form the N,N–di(4–bromophenyl)nitrenium ion (DN) was also observed in the acidic aqueous solution. As a result, the dication intermediate 4 appears more likely to be produced after abstracting a proton for the nitrenium ion DN in the acid solution first, followed by an electron abstraction to form the radical cation intermediate 3. These new and more extensive time-resolved spectroscopic data will be useful to help to develop an improved understanding of the identity, nature, and properties of nitrenium ions involved in reactions under acidic aqueous conditions.

Thermodynamic and spectroscopic properties of mixed complexes in aqueous solution. Copper(II) complexes of 2,2'-bipyridyl and iminodiacetic or pyridine-2,6-dicarboxylic acid

1979 ◽  
Vol 18 (12) ◽  
pp. 3417-3422 ◽  
Author(s):  
Raffaele P. Bonomo ◽  
Rosario Cali ◽  
Francesco Riggi ◽  
Enrico Rizzarelli ◽  
Silvio Sammartano ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Dicarboxylic Acid ◽  
Spectroscopic Properties ◽  
Mixed Complexes

Effect of β-cyclodextrin on spectroscopic properties of ochratoxin A in aqueous solution

2007 ◽  
Vol 57 (1-4) ◽  
pp. 475-479 ◽  
Author(s):  
R. Verrone ◽  
L. Catucci ◽  
P. Cosma ◽  
P. Fini ◽  
A. Agostiano ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ochratoxin A ◽  
Spectroscopic Properties

Synthese und Kristallstruktur von Dinatrium-di-μ/-oxo-bis[trihydroxo-methylantimonat(V)] / Synthesis and Crystal Structure of Disodium-di-μ-oxo-bis[trihydroxo-methylantimonate(V)]

1991 ◽  
Vol 46 (2) ◽  
pp. 139-142 ◽  
Author(s):  
Markus Wieber ◽  
Udo Simonis ◽  
Dieter Kraft
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Peroxide ◽  
Thermal Decomposition ◽  
Sodium Hydroxide ◽  
Spectroscopic Properties ◽  
Membered Ring ◽  
Dimeric Molecule ◽  
Synthesis And Crystal Structure

The oxidation of dialkoxymethylstibine with hydrogen peroxide in the presence of sodium hydroxide leads to the formation of disodium-di-μ-oxo-bis[trihydroxo-methylantimonate(V)]. The salt can be synthesized also by dissolving methanestibonic acid in an aqueous solution of sodium hydroxide. The crystal structure has been determined; it shows a dimeric molecule containing a four-membered ring with Sb -O -Sb linkages. Thermal decomposition and spectroscopic properties o f the com pound are discussed.

scholarly journals Spectroscopic properties of neodymium(III)-containing polyoxometalates in aqueous solution

2005 ◽  
Vol 62 (1-3) ◽  
pp. 478-482 ◽  
Author(s):  
Slawomir But ◽  
Stefan Lis ◽  
Rik Van Deun ◽  
Tatjana N. Parac-Vogt ◽  
Christiane Görller-Walrand ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Spectroscopic Properties

scholarly journals On verdigris, part II: synthesis of the 2-1-5 phase, Cu3(CH3COO)4(OH)2·5H2O, by long-term crystallisation from aqueous solution at room temperature

2018 ◽  
Vol 47 (25) ◽  
pp. 8209-8220 ◽  
Author(s):  
Sebastian Bette ◽  
Reinhard K. Kremer ◽  
Gerhard Eggert ◽  
Robert E. Dinnebier
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Room Temperature ◽  
Spectroscopic Properties

Long-term crystallisation led to the formation of the 2-1-5 verdigris phase (Cu3(CH3COO)4(OH)2·5H2O). The crystal structure, as well as magnetic, thermal and spectroscopic properties, was investigated.

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