Search results for "exaf"
showing 10 items of 822 documents
CCDC 1923203: Experimental Crystal Structure Determination
2020
Related Article: Abhisek Banerjee, Snehasis Banerjee, Carlos J. Gómez García, Samia Benmansour, Shouvik Chattopadhyay|2019|ACS Omega|4|20634|doi:10.1021/acsomega.9b02764
CCDC 1923202: Experimental Crystal Structure Determination
2020
Related Article: Abhisek Banerjee, Snehasis Banerjee, Carlos J. Gómez García, Samia Benmansour, Shouvik Chattopadhyay|2019|ACS Omega|4|20634|doi:10.1021/acsomega.9b02764
CCDC 855779: Experimental Crystal Structure Determination
2012
Related Article: K.Salorinne, E.Nauha, M.Nissinen|2012|Chem.Asian J.|7|809|doi:10.1002/asia.201100969
CCDC 955945: Experimental Crystal Structure Determination
2013
Related Article: Julia R. Shakirova, Elena V. Grachova, Alexei S. Melnikov, Vladislav V. Gurzhiy, Sergey P. Tunik, Matti Haukka, Tapani A. Pakkanen, and Igor O. Koshevoy|2013|Organometallics|32|4061|doi:10.1021/om301100v
Macrocyclic complexes based on [N⋯I⋯N]+ halogen bonds
2021
New 1–2 nm macrocyclic iodine(I) complexes prepared VIA a simple ligand exchange reaction manifest rigid 0.5–1 nm cavities that bind the hexafluorophosphate anion in the gas phase. The size of the cavities and the electrostatic interactions with the iodine(I) cations influence the anion binding properties of these macrocyclic complexes.
Supramolecular assemblies and photophysical properties of ionic homo- and heteronuclear metallophilic complexes
2019
Abstract The synthesis of two dinuclear ionic complexes with chemical formula [Au(PR 3 ) 2 ][Au(C ≡ CC 5 H 4 N-4) 2 ] that contain the water soluble phosphines, PR 3 , PTA (1, 3,5-triaza-7-phosphaadamantane, 1 ) and DAPTA (3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, 2 ) is herein described. The differences on their intermolecular reorganization have been analyzed and compared with the previously reported for the neutral complexes [Au(PR 3 )(C ≡ CC 5 H 4 N-4)]. It has been evidenced that the reorganization of the ligands giving rise to the dinuclear ionic complexes produces a complete change in the properties giving rise to Au⋯Au intermolecular assemblies. These aurophilic conta…
Cobaltocenium substituents as electron acceptors in photosynthetic model dyads
2017
Abstract Cobaltocenium carboxylic acid hexafluorophosphate has been attached to a zinc(II) meso-tetraphenyl porphyrin chromophore via an amide linkage. Optical and electrochemical studies reveal that the metallocene and the porphyrin interact only negligibly in the ground state of the dyad. Photoinduced charge-shift from the zinc porphyrin to the cobaltocenium substituent to give the zinc porphyrin radical cation and the cobaltocene occurs upon exciting the porphyrin with light. Steady state emission, time-resolved fluorescence and transient absorption pump–probe spectroscopy in addition to density functional theory calculations suggest that the charge shift to the cobaltocenium substituent…
Electrochemical and spectroelectrochemical studies of β-phosphorylated Zn porphyrins
2013
The electrochemical and spectroelectrochemical properties of two β-phosphorylated Zn porphyrins, [2-diethoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (1) and [2-diisopropoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (2), are reported in CH 2 Cl 2 and PhCN containing tetrabutylammonium perchlorate (TBAP) or tetrabutylammonium hexafluorophosphate (TBAPF6) as supporting electrolyte. Under certain solution conditions, three one-electron reductions are observed, with the last process being attributed to the product of a chemical reaction following formation of the porphyrin dianion. Two or three oxidations are observed for the same compounds, again depending upon the solution c…
The high overtone and combination levels of SF6 revisited at Doppler-limited resolution: A global effective rovibrational model for highly excited vi…
2017
Abstract Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v 6 =1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectr…
Nitrogen broadening of SF6 transitions in the nu3 band
2001
Abstract Nitrogen induced pressure-broadened halfwidths of a number of ν3 transitions of SF6 are calculated using the complex Robert–Bonamy (CRB) formalism. The calculations are made at 200, 250, 296 and 350 K and the temperature dependence of the halfwidths are determined. The intermolecular potential is taken as a sum of the leading electrostatic and Lennard-Jones [6] , [7] , [8] , [9] , [10] , [11] , [12] atom–atom components. The dynamics of the collision process are correct to second order in time. The calculated halfwidths are used to simulate the ν3 spectrum, which is compared to a simulation made using the HITRAN96 halfwidths and measurements made at the Universite Pierre et Marie C…