Establishment of steric substituent constants in the adamantane system by ab initio calculations

Kuangsen Sung; Fu Lin Chen

doi:10.1021/ol034065t

Establishment of steric substituent constants in the adamantane system by ab initio calculations

Kuangsen Sung, Fu Lin Chen

Department of Chemistry

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

7 Citations (Scopus)

Abstract

Steric substituent constants, S_A, of both alkyl and aryl substituents were calculated in the adamantane system by both isodesmic reactions and ab initio calculations. The method provides an easy and reliable way to quantify the substituent steric effects.

Original language	English
Pages (from-to)	889-891
Number of pages	3
Journal	Organic Letters
Volume	5
Issue number	6
DOIs	https://doi.org/10.1021/ol034065t
Publication status	Published - 2003 Mar 20

All Science Journal Classification (ASJC) codes

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry

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10.1021/ol034065t

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title = "Establishment of steric substituent constants in the adamantane system by ab initio calculations",

abstract = "Steric substituent constants, SA, of both alkyl and aryl substituents were calculated in the adamantane system by both isodesmic reactions and ab initio calculations. The method provides an easy and reliable way to quantify the substituent steric effects.",

author = "Kuangsen Sung and Chen, {Fu Lin}",

year = "2003",

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doi = "10.1021/ol034065t",

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journal = "Organic Letters",

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AU - Sung, Kuangsen

AU - Chen, Fu Lin

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N2 - Steric substituent constants, SA, of both alkyl and aryl substituents were calculated in the adamantane system by both isodesmic reactions and ab initio calculations. The method provides an easy and reliable way to quantify the substituent steric effects.

AB - Steric substituent constants, SA, of both alkyl and aryl substituents were calculated in the adamantane system by both isodesmic reactions and ab initio calculations. The method provides an easy and reliable way to quantify the substituent steric effects.

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JO - Organic Letters

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Establishment of steric substituent constants in the adamantane system by ab initio calculations

Abstract

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