Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: An energy decomposition analysis

Gaddamanugu Gayatri; Yarasi Soujanya; Israel Fernández; Gernot Frenking; G. Narahari Sastry

doi:10.1021/jp802886g

Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: An energy decomposition analysis

Gaddamanugu Gayatri, Yarasi Soujanya, Israel Fernández, Gernot Frenking, G. Narahari Sastry

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

8 Scopus citations

Abstract

The computational study explores the electronic fine tuning of the exocyclic C-C single bond length in tetrahedranyl tetrahedrane as a function of various substituents. The factors which determine the bond lengths and bond strengths are examined by using the EDA method.

Original language	English
Pages (from-to)	12919-12924
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	112
Issue number	50
DOIs	https://doi.org/10.1021/jp802886g
State	Published - 18 Dec 2008
Externally published	Yes

Access to Document

10.1021/jp802886g

Cite this

@article{6510d27bc11542c49fcb992c6b47a988,

title = "Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: An energy decomposition analysis",

abstract = "The computational study explores the electronic fine tuning of the exocyclic C-C single bond length in tetrahedranyl tetrahedrane as a function of various substituents. The factors which determine the bond lengths and bond strengths are examined by using the EDA method.",

author = "Gaddamanugu Gayatri and Yarasi Soujanya and Israel Fern{\'a}ndez and Gernot Frenking and Sastry, {G. Narahari}",

year = "2008",

month = dec,

day = "18",

doi = "10.1021/jp802886g",

language = "英语",

volume = "112",

pages = "12919--12924",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "50",

}

TY - JOUR

T1 - Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems

T2 - An energy decomposition analysis

AU - Gayatri, Gaddamanugu

AU - Soujanya, Yarasi

AU - Fernández, Israel

AU - Frenking, Gernot

AU - Sastry, G. Narahari

PY - 2008/12/18

Y1 - 2008/12/18

N2 - The computational study explores the electronic fine tuning of the exocyclic C-C single bond length in tetrahedranyl tetrahedrane as a function of various substituents. The factors which determine the bond lengths and bond strengths are examined by using the EDA method.

AB - The computational study explores the electronic fine tuning of the exocyclic C-C single bond length in tetrahedranyl tetrahedrane as a function of various substituents. The factors which determine the bond lengths and bond strengths are examined by using the EDA method.

UR - http://www.scopus.com/inward/record.url?scp=58149145442&partnerID=8YFLogxK

U2 - 10.1021/jp802886g

DO - 10.1021/jp802886g

M3 - 文章

AN - SCOPUS:58149145442

SN - 1089-5639

VL - 112

SP - 12919

EP - 12924

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 50

ER -

Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: An energy decomposition analysis

Abstract

Access to Document

Other files and links

Fingerprint

Cite this