Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups

C. Fonseca Guerra; E.J. Baerends; F.M. Bickelhaupt

doi:10.1002/qua.21039

Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups

C. Fonseca Guerra, E.J. Baerends, F.M. Bickelhaupt

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

The discovery by Kool and coworkers that 2,4-difluorotoluene (F) mimics thymine (T) in DNA replication has led to controversy regarding the question of whether this mimic has the capability of forming hydrogen bonds with adenine (A). Recently, we have provided evidence for an important role of both hydrogen bonding and steric effects in the replication of DNA. In the present work, we extend our study to mimics (G

Original language	English
Pages (from-to)	2428-2443
Journal	International Journal of Quantum Chemistry
Volume	106
Issue number	12
DOIs	https://doi.org/10.1002/qua.21039
Publication status	Published - 2006

Access to Document

10.1002/qua.21039

Persistent URL (handle)

Copy link address

Cite this

@article{7bae545b5d1b4d2c8faee568885c4b69,

title = "Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups",

abstract = "The discovery by Kool and coworkers that 2,4-difluorotoluene (F) mimics thymine (T) in DNA replication has led to controversy regarding the question of whether this mimic has the capability of forming hydrogen bonds with adenine (A). Recently, we have provided evidence for an important role of both hydrogen bonding and steric effects in the replication of DNA. In the present work, we extend our study to mimics (G",

author = "{Fonseca Guerra}, C. and E.J. Baerends and F.M. Bickelhaupt",

year = "2006",

doi = "10.1002/qua.21039",

language = "English",

volume = "106",

pages = "2428--2443",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "John Wiley and Sons Inc.",

number = "12",

}

Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups. / Fonseca Guerra, C.; Baerends, E.J.; Bickelhaupt, F.M.
In: International Journal of Quantum Chemistry, Vol. 106, No. 12, 2006, p. 2428-2443.

Research output: Contribution to Journal › Article › Academic › peer-review

TY - JOUR

T1 - Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups

AU - Fonseca Guerra, C.

AU - Baerends, E.J.

AU - Bickelhaupt, F.M.

PY - 2006

Y1 - 2006

N2 - The discovery by Kool and coworkers that 2,4-difluorotoluene (F) mimics thymine (T) in DNA replication has led to controversy regarding the question of whether this mimic has the capability of forming hydrogen bonds with adenine (A). Recently, we have provided evidence for an important role of both hydrogen bonding and steric effects in the replication of DNA. In the present work, we extend our study to mimics (G

AB - The discovery by Kool and coworkers that 2,4-difluorotoluene (F) mimics thymine (T) in DNA replication has led to controversy regarding the question of whether this mimic has the capability of forming hydrogen bonds with adenine (A). Recently, we have provided evidence for an important role of both hydrogen bonding and steric effects in the replication of DNA. In the present work, we extend our study to mimics (G

U2 - 10.1002/qua.21039

DO - 10.1002/qua.21039

M3 - Article

SN - 0020-7608

VL - 106

SP - 2428

EP - 2443

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 12

ER -

Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donor and F proton acceptor groups

Abstract

Access to Document

Persistent URL (handle)

Fingerprint

Cite this