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Topological Research of Group Distance Parameter and Connectivity Index to Refractive Index of Alkanes

《南京理工大学学报》（自然科学版）[ISSN:1005-9830/CN:32-1397/N]

Issue:
2006年01期
Page:
106-109
Research Field:
Publishing date:
2006-02-28

Info

Title:
Topological Research of Group Distance Parameter and Connectivity Index to Refractive Index of Alkanes
Author(s):
DU Xi-hua
Department of Chemistry,Xuzhou Education College,Xuzhou 221006,China
Keywords:
group distance parameter;  connectivity index;  refractive index;  quantitative structure-property relationship;  alkane
PACS:
O621.25
DOI:
-
Abstract:
The relat ionship between the refractive index and molecular structure of 81 alkanes was studied by quantitat ive structure-property relationship method ( QSPR) . Based on the atomic characterist ic value, a novel group distance parameter and connectivity indexmXX were set up. By multiple regression analysis , a reasonable model was developed for predicting the refractive index of alkanes. The results from computing the refractive index of alkanes were in good agreement with the experimental data. The mean relat ive deviation was 0. 17 %. The studies indicate that the structure-property relationship of alkanes can be well reflected by the group distance parameter and connectivity index mXX .

References:

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Memo

Memo:
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Last Update: 2006-02-28