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
相关论文
共 50 条
  • [1] Thermochemical parameters of the chloronitrophenol isomers: A combined experimental and theoretical investigation
    Morais, Victor M. F.
    Miranda, Margarida S.
    Matos, M. Agostinha R.
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2007, 52 (02): : 627 - 634
  • [2] Effect of artificial sweetener saccharin on lysozyme aggregation: A combined spectroscopic and in silico approach
    Dudure, Rushali
    Ganorkar, Kapil
    Beldar, Vishal
    Ghosh, Sujit Kumar
    Panda, Alok Kumar
    Jadhao, Manojkumar
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2023, 290
  • [3] Investigation of antibacterial and antifungal properties of benzene sulfonamide derivatives by experimental and computational studies
    Kapisuz, Ozge
    Rudrapal, Mithun
    Gulc, Ulkuye Dudu
    Rathod, Sanket S.
    Isik, Mesut
    Durgun, Mustafa
    Khan, Johra
    CHEMICAL PHYSICS IMPACT, 2024, 9
  • [4] Combined computational and experimental investigation of SOx adsorption on MgO
    Schneider, WF
    Li, J
    Hass, KC
    JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (29): : 6972 - 6979
  • [5] Experimental and computational thermochemical study of oxindole
    Miranda, Margarida S.
    Matos, M. Agostinha R.
    Morais, Victor M. F.
    Liebman, Joel F.
    JOURNAL OF CHEMICAL THERMODYNAMICS, 2010, 42 (09): : 1101 - 1106
  • [6] Experimental and computational thermochemical study of dimethoxyacetophenones
    Amaral, Luisa M. P. F.
    Ribeiro da Silva, Manuel A., V
    JOURNAL OF CHEMICAL THERMODYNAMICS, 2021, 152
  • [7] Computational Investigation of Sulfonamide-Aldehyde Derivatives
    Loras, Gerard
    Haouari, Hanae
    JOURNAL OF BIOLOGICAL CHEMISTRY, 2024, 300 (03) : S275 - S275
  • [8] Combined computational/experimental investigation of new cocrystals of the drug bosentan
    Barbas, Rafael
    Portell, Anna
    Hunter, Christopher A.
    Prohens, Rafel
    Frontera, Antonio
    CRYSTENGCOMM, 2022, 24 (28) : 5105 - 5111
  • [9] Experimental and computational thermochemical study of the dichloronitrobenzene isomers
    Ribeiro da Silva, Manuel A. V.
    Lobo Ferreira, Ana I. M. C.
    Moreno, Ana Rita G.
    JOURNAL OF CHEMICAL THERMODYNAMICS, 2009, 41 (08): : 904 - 910
  • [10] Experimental investigation on thermochemical phenomena in SiFRP
    Hirai, Kenichi
    Matsuura, Yoshiki
    Kinefuchi, Kiyoshi
    Kamita, Toru
    ADVANCED COMPOSITE MATERIALS, 2012, 21 (5-6) : 459 - 475