Towards the understanding of the spectroscopic behaviour of the C-H oscillator in C-H•••O hydrogen bonds:: the effect of solvent polarity

被引：30

作者：

Ribeiro-Claro, PJA ^{[1
]}

Vaz, PD ^{[1
]}

机构：

[1] Univ Aveiro, Dept Quim, CICECO, P-3810193 Aveiro, Portugal

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 390卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.04.041

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The effect of solvent polarity versus specific C-(HO)-O-... contacts on the vibrational vC-H mode is studied using CHCl3 as a model system. Ab initio SCI-PCM calculations show that the overall shift of the vC-H band, sometimes ascribed to the C-(HO)-O-... hydrogen bonding, can in fact be explained by the electrostatic interaction with a dielectric environment. The presence of a new X-H band assigned to the C-(HO)-O-... bonded forms - remains as the most reliable evidence of C-(HO)-O-... hydrogen bonding. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：358 / 361

页数：4

共 50 条

[31] C-H ACTIVATION Boron breaks C-H bonds without metal
Boerner, Leigh Krietsch
CHEMICAL & ENGINEERING NEWS, 2019, 97 (39) : 7 - 7
[32] Transformation of C-H bonds through a bidentate directed C-H activation
Chatani, Naoto
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
[33] C-H and C-D bonds: An experimental to the identity of C-H bonds by their conversion to C-D bonds
Rowland, AT
JOURNAL OF CHEMICAL EDUCATION, 2003, 80 (03) : 311 - 312
[34] If C-H Bonds Could Talk: Selective C-H Bond Oxidation
Newhouse, Timothy
Baran, Phil S.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (15) : 3362 - 3374
[35] Iron-Catalyzed C-H Alkylation of Heterocyclic C-H Bonds
Babu, Kaki Raveendra
Zhu, Nengbo
Bao, Hongli
ORGANIC LETTERS, 2017, 19 (01) : 46 - 49
[36] O-Phenyl (triphenylphosphoniomethyl) phosphonate phenol solvate:: supramolecular structure generated by O-H •••O, C-H•••O and C-H•••π(arene) hydrogen bonds
Checinska, Lilianna
Rybarczyk-Pirek, Agnieszka J.
Kudzin, Zbigniew H.
Okruszek, Andrzej
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2007, 63 (09): : O504 - O506
[37] C-H functionalization of alkenyl SP2 C-H bonds
Loh, Teck-Peng
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
[38] Solvent Polarity Affects H Atom Abstractions from C-H Donors
El-Sheshtawy, Hamdy S.
Pischel, Uwe
Nau, Werner M.
ORGANIC LETTERS, 2011, 13 (10) : 2694 - 2697
[39] C-H⋯O, O-H⋯C, and C-H⋯C interactions in complexes of carbocations and carboanions
A. N. Isaev
Russian Journal of Inorganic Chemistry, 2013, 58 : 817 - 823
[40] Not all short C-H•••O contacts are hydrogen bonds:: the prototypical example of contacts to C=O+-H
Steiner, T
CHEMICAL COMMUNICATIONS, 1999, (04) : 313 - 314

← 1 2 3 4 5 →