Substituent effects in X-CC-HNH3 (or OH2 , FH) hydrogen bonding

Rong Chen; Ke Chun Zhang; Lei Liu; Xiao Song Li; Qing Xiang Guo

doi:10.1016/S0009-2614(01)00195-6

Substituent effects in X-CC-HNH₃ (or OH₂ , FH) hydrogen bonding

Rong Chen, Ke Chun Zhang, Lei Liu, Xiao Song Li, Qing Xiang Guo

Chemical Engineering and Materials Science

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

7 Scopus citations

Abstract

MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-H and NH₃,H₂O, and HF. It was found that the Hammett-type correlation was applicable to the above systems, which indicated that the field/inductive and resonance effects could both affect the X-CC-HNH₃ (or H₂O, HF) hydrogen bonding.

Original language	English (US)
Pages (from-to)	61-66
Number of pages	6
Journal	Chemical Physics Letters
Volume	338
Issue number	1
DOIs	https://doi.org/10.1016/S0009-2614(01)00195-6
State	Published - Apr 13 2001

Bibliographical note

Funding Information:
We are grateful to the NSFC for the financial support. We also thank Prof. H.B. Schlegel of Wayne State University for his helpful suggestions.

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10.1016/S0009-2614(01)00195-6

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title = "Substituent effects in X-CC-HNH3 (or OH2 , FH) hydrogen bonding",

abstract = "MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-H and NH3,H2O, and HF. It was found that the Hammett-type correlation was applicable to the above systems, which indicated that the field/inductive and resonance effects could both affect the X-CC-HNH3 (or H2O, HF) hydrogen bonding.",

author = "Rong Chen and Zhang, \{Ke Chun\} and Lei Liu and Li, \{Xiao Song\} and Guo, \{Qing Xiang\}",

note = "Funding Information: We are grateful to the NSFC for the financial support. We also thank Prof. H.B. Schlegel of Wayne State University for his helpful suggestions.",

year = "2001",

month = apr,

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doi = "10.1016/S0009-2614(01)00195-6",

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T1 - Substituent effects in X-CC-HNH3 (or OH2 , FH) hydrogen bonding

AU - Chen, Rong

AU - Zhang, Ke Chun

AU - Liu, Lei

AU - Li, Xiao Song

AU - Guo, Qing Xiang

N1 - Funding Information: We are grateful to the NSFC for the financial support. We also thank Prof. H.B. Schlegel of Wayne State University for his helpful suggestions.

PY - 2001/4/13

Y1 - 2001/4/13

N2 - MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-H and NH3,H2O, and HF. It was found that the Hammett-type correlation was applicable to the above systems, which indicated that the field/inductive and resonance effects could both affect the X-CC-HNH3 (or H2O, HF) hydrogen bonding.

AB - MP2/6-31g(p,d) calculations were performed on the C-HN (or O, F) hydrogen bonding between 18 substituted X-CC-H and NH3,H2O, and HF. It was found that the Hammett-type correlation was applicable to the above systems, which indicated that the field/inductive and resonance effects could both affect the X-CC-HNH3 (or H2O, HF) hydrogen bonding.

UR - https://www.scopus.com/pages/publications/0011127099

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U2 - 10.1016/S0009-2614(01)00195-6

DO - 10.1016/S0009-2614(01)00195-6

M3 - Article

AN - SCOPUS:0011127099

SN - 0009-2614

VL - 338

SP - 61

EP - 66

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

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