After examination of specimens, mainly from the herbarium (MA) and the mycological collection (MA-Fungi) of the Royal Botanic Garden of Madrid, we report several novelties on smut fungi within Europe. Two species of smut fungi, Sporisorium egyptiacum and Tilletia viennotii, are reported for the first time from Europe. A finding of Sphacelotheca pol...
Avec le soutien de l'AFD et de la Banque Mondiale / International audience
Published in Chemistry (Weinheim an der Bergstrasse, Germany)
Bis(sulfane)carbon(0) (BSC; Ph2 S→C←SPh2 (1)) is successfully synthesized by deprotonation of the corresponding protonated salt 1⋅HTfO. The diprotonated salt 1⋅(HTfO)2 as the starting material can be also easily accessed by the deimination of iminosulfane(sulfane)carbon(0) (iSSC)⋅HBF4 . Density functional theory calculations revealed the peculiar e...
Published in Chemistry (Weinheim an der Bergstrasse, Germany)
Quantum chemical calculations of the main-group compounds E[C(NHCMe )2 ]2 (E=Be, B+ , C2+ , N3+ , Mg, Al+ , Si2+ , P3+ ) have been carried out using density functional theory at the BP86/def2-TZVPP and BP86-D3(BJ)/def2-TZVPP levels of theory. The geometry optimization at BP86/def2-TZVPP gives equilibrium structures with two-coordinated species E an...
Published in Angewandte Chemie (International ed. in English)
The first carbodicarbene stabilized by flanking cyclopropenylidenes is reported. Tetraphenylcarbodicyclopropenylidene (2) is accessed by deprotonation of the corresponding triafulvene cyclopropenium salt, and has been spectroscopically characterized in [D8 ]THF solution at -60 °C. Main-group and transition-metal complexes of 2 have been accessed, a...
Coals of Cundiboyacense area were studied in order to determine their presence and quantify of content of contaminants such as cadmium (Cd), arsenic (As), lead (Pb), selenium (Se), and mercury (Hg), which are compared with Clarke index for coals of the same rank. Coal samples were taken from active mining fronts and are analyzed by proximate analys...
Published in Chemistry (Weinheim an der Bergstrasse, Germany)
Iminosulfane(phosphane)carbon(0) derivatives (iSPCs; Ar3 P→C←SPh2 (NMe); Ar=Ph (1), 4-MeOC6 H4 (2), 4-(Me2 N)C6 H4 (3)) have been successfully synthesized and the molecular structure of 3 characterized. Carbone 3 is the first thermally and hydrolytically stable carbone stabilized by phosphorus and sulfur ligands. DFT calculations reveal the electro...
Published in Journal of computational chemistry
There is considerable interest presently in the chemistry of allenes. The current computational investigation looks into the possibility of using allenes and their derivatives as leaving groups. As it is well known, leaving groups are significant in catalytic processes for generating the active site. A full quantum mechanical study using density fu...
Published in Angewandte Chemie (International ed. in English)
Electronic effects on the central carbon atom of carbone, generated by the replacement of the S(IV) ligand of carbodisulfane (CDS) with other chalcogen ligands (Ph2 E, E=S or Se), were investigated. The carbones Ph2 E→C←SPh2 (NMe) [E=S(1) or Se(2)] were synthesized from the corresponding salts, and their molecular structures and electronic properti...
Published in Chemistry (Weinheim an der Bergstrasse, Germany)
The ground electronic state of C(BH)2 exhibits both a linear minimum and a peculiar angle-deformation isomer with a central B-C-B angle near 90°. Definitive computations on these species and the intervening transition state have been executed by means of coupled-cluster theory including single and double excitations (CCSD), perturbative triples (CC...
