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

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FTIR spectroscopic and ab initio evidence for an amphipathic character of CO bonding with silanol groups. / Storozhev, P. Yu; Otero Areán, C. Otero; Garrone, E.; Ugliengo, P.; Ermoshin, V. A.; Tsyganenko, A. A.

In: Chemical Physics Letters, Vol. 374, No. 5-6, 18.06.2003, p. 439-445.

Research output: Contribution to journal › Article › peer-review

Author

Storozhev, P. Yu ; Otero Areán, C. Otero ; Garrone, E. ; Ugliengo, P. ; Ermoshin, V. A. ; Tsyganenko, A. A. / FTIR spectroscopic and ab initio evidence for an amphipathic character of CO bonding with silanol groups. In: Chemical Physics Letters. 2003 ; Vol. 374, No. 5-6. pp. 439-445.

BibTeX

@article{b7341aa3c5614a388f3b4879da77a0b1,

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

abstract = "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 kJ mol-1. Spectroscopic data are supported by ab initio cluster model calculations of different complexity levels.",

author = "Storozhev, {P. Yu} and {Otero Are{\'a}n}, {C. Otero} and E. Garrone and P. Ugliengo and Ermoshin, {V. A.} and Tsyganenko, {A. A.}",

year = "2003",

month = jun,

day = "18",

doi = "10.1016/S0009-2614(03)00587-6",

language = "English",

volume = "374",

pages = "439--445",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "5-6",

}

RIS

TY - JOUR

T1 - FTIR spectroscopic and ab initio evidence for an amphipathic character of CO bonding with silanol groups

AU - Storozhev, P. Yu

AU - Otero Areán, C. Otero

AU - Garrone, E.

AU - Ugliengo, P.

AU - Ermoshin, V. A.

AU - Tsyganenko, A. A.

PY - 2003/6/18

Y1 - 2003/6/18

N2 - 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 kJ mol-1. Spectroscopic data are supported by ab initio cluster model calculations of different complexity levels.

AB - 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 kJ mol-1. Spectroscopic data are supported by ab initio cluster model calculations of different complexity levels.

UR - http://www.scopus.com/inward/record.url?scp=0037971553&partnerID=8YFLogxK

U2 - 10.1016/S0009-2614(03)00587-6

DO - 10.1016/S0009-2614(03)00587-6

M3 - Article

AN - SCOPUS:0037971553

VL - 374

SP - 439

EP - 445

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 5-6

ER -

ID: 13763269