Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussion

W. J. Mortier; J. Sauer; J. A. Lercher; H. Noller

doi:10.1021/j150649a016

Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussion

W. J. Mortier
, J. Sauer
, J. A. Lercher
, H. Noller

Katholieke Universiteit Leuven
Akademie der Wissenschaften der DDR
Technische Universität Wien

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

160 Scopus citations

Abstract

Structural chemical arguments and results of nonempirical quantum chemical calculations are used to explain the difference in properties of bridging and terminal silanol groups. In this way, greater acidity and sensitivity toward adsorbed molecules or composition are predicted for bridging hydroxyls.

Original language	English
Pages (from-to)	905-912
Number of pages	8
Journal	Journal of Physical Chemistry
Volume	88
Issue number	5
DOIs	https://doi.org/10.1021/j150649a016
State	Published - 1984
Externally published	Yes

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title = "Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussion",

abstract = "Structural chemical arguments and results of nonempirical quantum chemical calculations are used to explain the difference in properties of bridging and terminal silanol groups. In this way, greater acidity and sensitivity toward adsorbed molecules or composition are predicted for bridging hydroxyls.",

author = "Mortier, \{W. J.\} and J. Sauer and Lercher, \{J. A.\} and H. Noller",

year = "1984",

doi = "10.1021/j150649a016",

language = "English",

volume = "88",

pages = "905--912",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

number = "5",

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T1 - Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussion

AU - Mortier, W. J.

AU - Sauer, J.

AU - Lercher, J. A.

AU - Noller, H.

PY - 1984

Y1 - 1984

N2 - Structural chemical arguments and results of nonempirical quantum chemical calculations are used to explain the difference in properties of bridging and terminal silanol groups. In this way, greater acidity and sensitivity toward adsorbed molecules or composition are predicted for bridging hydroxyls.

AB - Structural chemical arguments and results of nonempirical quantum chemical calculations are used to explain the difference in properties of bridging and terminal silanol groups. In this way, greater acidity and sensitivity toward adsorbed molecules or composition are predicted for bridging hydroxyls.

UR - https://www.scopus.com/pages/publications/33845470245

U2 - 10.1021/j150649a016

DO - 10.1021/j150649a016

M3 - Article

AN - SCOPUS:33845470245

SN - 0022-3654

VL - 88

SP - 905

EP - 912

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 5

ER -

Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussion

Abstract

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