Quantitative determination of activation energies in mechanochemical reactions

被引：63

作者：

Fischer, Franziska ^{[1
,2
]}

Wenzel, Klaus-Juergen ^{[1
]}

Rademann, Klaus ^{[1
,2
]}

Emmerling, Franziska ^{[1
]}

机构：

[1] BAM Fed Inst Mat Res & Testing, R Willstatter Str 11, D-12489 Berlin, Germany

[2] Humboldt Univ, B Taylor Str 2, D-12489 Berlin, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 33期

关键词：

X-RAY-DIFFRACTION; HYDROGEN-BONDED COCRYSTALS; CO-CRYSTAL FORMATION; IN-SITU; SOLID-STATE; REAL-TIME; PHARMACEUTICAL COCRYSTALS; STEPWISE MECHANISM; MILLING REACTIONS; NICOTINAMIDE;

D O I：

10.1039/c6cp04280e

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：

Mechanochemical reactions often result in 100% yields of single products, making purifying procedures obsolete. Mechanochemistry is also a sustainable and eco-friendly method. The ever increasing interest in this method is contrasted by a lack in mechanistic understanding of the mechanochemical reactivity and selectivity. Recent in situ investigations provided direct insight into formation pathways. However, the currently available theories do not predict temperature T as an influential factor. Here, we report the first determination of an apparent activation energy for a mechanochemical reaction. In a temperature-dependent in situ study the cocrystallisation of ibuprofen and nicotinamide was investigated as a model system. These experiments provide a pivotal step towards a comprehensive understanding of milling reaction mechanisms.

引用

页码：23320 / 23325

页数：6

共 64 条

[1] Building co-crystals with molecular sense and supramolecular sensibility [J].

Aakeröy, CB ;

Salmon, DJ .

CRYSTENGCOMM, 2005, 7 :439-448

[2] Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1: 1 co-crystals [J].

Aitipamula, Srinivasulu ;

Chow, Pui Shan ;

Tan, Reginald B. H. .

CRYSTENGCOMM, 2012, 14 (07) :2381-2385

[3] Synthesis and Supramolecularity of Hydrogen-Bonded Cocrystals of Pharmaceutical Model Rac-Ibuprofen with Pyridine Derivatives [J].

Alshahateet, Solhe F. .

MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2010, 533 :152-161

[4]

Arrhenius S., 1889, Z. Phys. Chem, V4, DOI [10.1515/zpch-1889-0416.S2CID100032801, DOI 10.1515/ZPCH-1889-0416]

[5]

Arrhenius S, 1889, DISSOCIATIONSWARME E

[6] An experimental and theoretical study of vibrational spectra of picolinamide, nicotinamide, and isonicotinamide [J].

Bakiler, Meric ;

Bolukbasi, Olcay ;

Yilmaz, Ayberk .

JOURNAL OF MOLECULAR STRUCTURE, 2007, 826 (01) :6-16

[7]

Balazˇ P., 2008, Mechanochemistry in Nanoscience and Minerals Engineering. Chapter 2: High-Energy Milling, DOI [DOI 10.1007/978-3-540-74855-7_5, 10.1007/978-3-540-74855-7, DOI 10.1007/978-3-540-74855-7]

[8] Hallmarks of mechanochemistry: from nanoparticles to technology [J].

Balaz, Peter ;

Achimovicova, Marcela ;

Balaz, Matej ;

Billik, Peter ;

Cherkezova-Zheleva, Zara ;

Manuel Criado, Jose ;

Delogu, Francesco ;

Dutkova, Erika ;

Gaffet, Eric ;

Jose Gotor, Francisco ;

Kumar, Rakesh ;

Mitov, Ivan ;

Rojac, Tadej ;

Senna, Mamoru ;

Streletskii, Andrey ;

Wieczorek-Ciurowa, Krystyna .

CHEMICAL SOCIETY REVIEWS, 2013, 42 (18) :7571-7637

[9] Direct In Situ Investigation of Milling Reactions Using Combined X-ray Diffraction and Raman Spectroscopy [J].

Batzdorf, Lisa ;

Fischer, Franziska ;

Wilke, Manuel ;

Wenzel, Klaus-Juergen ;

Emmerling, Franziska .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (06) :1799-1802

[10] Direct Observation of Intermediates in a Thermodynamically Controlled Solid-State Dynamic Covalent Reaction [J].

Belenguer, Ana M. ;

Lampronti, Giulio I. ;

Wales, David J. ;

Sanders, Jeremy K. M. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (46) :16156-16166

← 1 2 3 4 5 6 7 →