Criteria for zeolite frameworks realizable for target synthesis

Yi Li; Jihong Yu; Ruren Xu

doi:10.1002/anie.201206340

Criteria for zeolite frameworks realizable for target synthesis

Yi Li, Jihong Yu^*, Ruren Xu

^*Corresponding author for this work

Jilin University

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

112 Citations (Scopus)

Abstract

The huge pool of hypothetical zeolites can be screened for likely candidates for successful targeted synthesis on the basis of a set of reliable criteria derived from the observation that the local interatomic distances in all existing zeolites strictly obey several rules. For example, the average T-T and T-O distances (<D_TT> and <D_TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.

Original language	English
Pages (from-to)	1673-1677
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	52
Issue number	6
DOIs	https://doi.org/10.1002/anie.201206340
Publication status	Published - 4 Feb 2013
Externally published	Yes

Keywords

local interatomic distances
molecular modeling
structural chemistry
structure prediction
zeolites

Access to Document

10.1002/anie.201206340

Cite this

@article{71ea05d7f63848f6a18d6f8bb6ad21b6,

title = "Criteria for zeolite frameworks realizable for target synthesis",

abstract = "The huge pool of hypothetical zeolites can be screened for likely candidates for successful targeted synthesis on the basis of a set of reliable criteria derived from the observation that the local interatomic distances in all existing zeolites strictly obey several rules. For example, the average T-T and T-O distances (TT> and TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.",

keywords = "local interatomic distances, molecular modeling, structural chemistry, structure prediction, zeolites",

author = "Yi Li and Jihong Yu and Ruren Xu",

year = "2013",

month = feb,

day = "4",

doi = "10.1002/anie.201206340",

language = "English",

volume = "52",

pages = "1673--1677",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "6",

}

TY - JOUR

T1 - Criteria for zeolite frameworks realizable for target synthesis

AU - Li, Yi

AU - Yu, Jihong

AU - Xu, Ruren

PY - 2013/2/4

Y1 - 2013/2/4

N2 - The huge pool of hypothetical zeolites can be screened for likely candidates for successful targeted synthesis on the basis of a set of reliable criteria derived from the observation that the local interatomic distances in all existing zeolites strictly obey several rules. For example, the average T-T and T-O distances (TT> and TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.

AB - The huge pool of hypothetical zeolites can be screened for likely candidates for successful targeted synthesis on the basis of a set of reliable criteria derived from the observation that the local interatomic distances in all existing zeolites strictly obey several rules. For example, the average T-T and T-O distances (TT> and TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.

KW - local interatomic distances

KW - molecular modeling

KW - structural chemistry

KW - structure prediction

KW - zeolites

UR - http://www.scopus.com/inward/record.url?scp=84873384361&partnerID=8YFLogxK

U2 - 10.1002/anie.201206340

DO - 10.1002/anie.201206340

M3 - Article

AN - SCOPUS:84873384361

SN - 1433-7851

VL - 52

SP - 1673

EP - 1677

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 6

ER -

Criteria for zeolite frameworks realizable for target synthesis

Abstract

Keywords

Access to Document

Other files and links

Cite this