Saccharin: a combined experimental and computational thermochemical investigation of a sweetener and sulfonamide

被引:26
|
作者
Matos, MAR
Miranda, MS
Morais, VMF
Liebman, JF [1 ]
机构
[1] Univ Maryland Baltimore Cty, Dept Chem & Biochem, Baltimore, MD 21250 USA
[2] Univ Porto, Fac Ciencias, Dept Quim, Ctr Invest Quim, P-4169007 Oporto, Portugal
[3] Univ Porto, ICBAS, Inst Ciencias Biomed Abel Salazar, P-4099003 Oporto, Portugal
关键词
D O I
10.1080/00268970512331316175
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The standard molar enthalpies of combustion, sublimation, and formation in the crystalline and gaseous phase at a temperature of 298.15 K have been experimentally determined for saccharin and for benzenesulfonamide. These compounds were also studied theoretically using density functional theory, the B3LYP functional and extended basis sets.
引用
收藏
页码:221 / 228
页数:8
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