FTIR spectroscopic and ab initio evidence for an amphipathic character of CO bonding with silanol groups

被引：25

作者：

Storozhev, PY

Areán, CO

Garrone, E

Ugliengo, P

Ermoshin, VA

Tsyganenko, AA ^{[1
]}

机构：

[1] St Petersburg State Univ, VA Fock Inst Phys, St Petersburg 198504, Russia

[2] Univ Balearic Isl, Dept Quim, Palma de Mallorca 07071, Spain

[3] Politecn Torino, Dipartimento Sci Mat & Ingn Chim, I-10126 Turin, Italy

[4] Univ Turin, Dipartimento Chim, IFM, I-10125 Turin, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 374卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(03)00587-6

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：

FTIR spectroscopy provides evidence that carbon monoxide interacts with surface silanol groups of silica and silicalite to form both SiOH...CO and SiOH...OC hydrogen-bonded complexes. The C-bonded adduct shows a characteristic IR absorption band which is blue-shifted as compared to free CO (2143 cm(-1)), while the O-bonded adduct is characterized by a red-shifted band. Variable temperature IR spectroscopy has shown that these two hydrogen-bonded adducts are in a temperature-dependent equilibrium which involves an enthalpy change of about 2-3 U mol(-1). Spectroscopic data are supported by ab initio cluster model calculations of different complexity levels. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：439 / 445

页数：7

共 27 条

[1] MATRIX TRAPPING OF 2 STRUCTURAL ARRANGEMENTS OF WEAK COMPLEXES [J].