Thermochemical studies of three N-thiocarbamoylbenzamidines

Redesigning the rotating-bomb combustion calorimeter

“…Throughout the years, rotating-bomb combustion calorimeters have been used in the study of the thermochemistry of compounds containing sulfur [2,3] and more recently compounds that contain both sulfur and nitrogen [4,5]. Rotating-bomb is also the only way to guarantee adequate reduction of chlorine or bromine in the combustion of halogenated substances [6][7][8] and, even by achieving adequate dissolution of refractory oxides produced after combustion, this device is a reliable instrument in the study of some organometallic compounds [9,10].…”

Thermochemical studies of two N-(diethylaminothiocarbonyl)benzimido derivatives

“…Table 6 presents a summary of the results, as well as the estimates derived by B3LYP calculation, anchoring all values at the standard molar enthalpy of formation of N-(diethylaminothiocarbonyl)-benzamidine [DATB: PhC-(NH 2 )NCSNEt 2 ], in the gaseous state [8].…”

“…The standard molar enthalpies of formation of the two title compounds, in the gaseous state, were derived based on the following hypothetical group exchange reactions, anchored on the experimental data for the standard molar enthalpy of formation of N-(diethylaminothiocarbonyl)-benzamidine (DATB:PhC(NH 2 )NCSNEt 2 ) [8], in the gaseous state:…”

“…Bridged N-thiocarbamoyl substituted bis-benzamidines Et 2 NCSNCPh-NH-R-NH-CPhNCSNEt 2 , with different moieties R, and their respective transition metal complexes have been reported [7]. Recently, we reported on thermochemical studies on N-thiocarbamoylbenzamidines [8] as well as on their respective Ni(II) complexes [9]. Following these previous investigations, the aim of this work is to link and to extent the scope of compounds to the more general class of benzimido derivatives of thioureas, and, further, study their energetics in order to contribute to the understanding of binding processes, e.g., in biologically relevant materials.…”

Aqueous solubilities of five N-(diethylaminothiocarbonyl)benzimido derivatives at T = 298.15 K

“…A large number of serine proteinase inhibitors has been developed, starting from benzamidine and its derivatives (Ensinck et al, 1972;Henkel et al, 1983;Jeffcoate and White, 1974). Reports on the thermochemistry of N-(diethylaminothiocarbonyl)benzimido derivatives (Ribeiro da Silva et al, 2006Silva et al, , 2004b and some of their Nicomplexes (Ribeiro da Silva et al, 2004a) are available. More recently, they were systematically examined for their crystalline structures (Schr€ oder et al, 2011b(Schr€ oder et al, , 2011c, with intent to connect to their fusion thermodynamics (Schr€ oder et al, 2011b).…”