Special Issue on AsiaNANO2008; Edited by A. T. S. Wee, A. C. A. Wan, Y. P. Feng, H. Zhang, M. B. A. Jalil and S. ValiyaveettilNo Access

DENSITY FUNCTIONAL STUDY ON THE EFFECT OF ELECTRON WITHDRAWING SUBSTITUENT ON THE STABILITY OF RNHBH₂

DONG HYUN JUNG

Insilicotech Co. Ltd., A-1101, Kolontripolis, 210, Geumgok-Dong, Bundang-Gu, Seongnam, Gyeonggi-Do 463-943, Republic of Korea

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DAEJIN KIM

Insilicotech Co. Ltd., A-1101, Kolontripolis, 210, Geumgok-Dong, Bundang-Gu, Seongnam, Gyeonggi-Do 463-943, Republic of Korea

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AREUM LEE

Insilicotech Co. Ltd., A-1101, Kolontripolis, 210, Geumgok-Dong, Bundang-Gu, Seongnam, Gyeonggi-Do 463-943, Republic of Korea

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SEUNG-HOON CHOI

Insilicotech Co. Ltd., A-1101, Kolontripolis, 210, Geumgok-Dong, Bundang-Gu, Seongnam, Gyeonggi-Do 463-943, Republic of Korea

Corresponding author.

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, and

SANG OOK KANG

Department of Chemistry, Korea University, 208, Seochang, Jochiwon, Chungnam 339-700, Republic of Korea

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https://doi.org/10.1142/S0219581X0900561XCited by:0 (Source: Crossref)

Abstract

We investigated the stability of aminoborane with electron withdrawing groups such as –CF₃ and –CN using density functional theory calculations. For the electron withdrawing groups of –CF₃ and –CN, we observed similar tendency of B–N bond strength: electron withdrawal from the N atom reduces the strength of B–N bonds. And we find that the electron density localized on B and N is also reduced through the charge analysis. These electron withdrawing substituents make cyclic dimers and trimers stabilized less than electron donating ones.

Keywords:

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