Stabilizing the Boat Conformation of Cyclohexane Rings

Siddharth Dasgupta; William A. Goddard; Yongchun Tang; J. Michael Moldowan; Robert M.K. Carlson

doi:10.1021/ja00129a017

Stabilizing the Boat Conformation of Cyclohexane Rings

Siddharth Dasgupta
, William A. Goddard
, Yongchun Tang
, J. Michael Moldowan
, Robert M.K. Carlson

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

Abstract

In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3–2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.

Original language	English
Pages (from-to)	6532-6534
Number of pages	3
Journal	Journal of the American Chemical Society
Volume	117
Issue number	24
DOIs	https://doi.org/10.1021/ja00129a017
Publication status	Published - 1 Jan 1995
Externally published	Yes

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10.1021/ja00129a017

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title = "Stabilizing the Boat Conformation of Cyclohexane Rings",

abstract = "In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3–2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.",

author = "Siddharth Dasgupta and Goddard, \{William A.\} and Yongchun Tang and Moldowan, \{J. Michael\} and Carlson, \{Robert M.K.\}",

year = "1995",

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AU - Dasgupta, Siddharth

AU - Goddard, William A.

AU - Tang, Yongchun

AU - Moldowan, J. Michael

AU - Carlson, Robert M.K.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3–2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.

AB - In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3–2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.

UR - https://www.scopus.com/pages/publications/0029323180

U2 - 10.1021/ja00129a017

DO - 10.1021/ja00129a017

M3 - Article

AN - SCOPUS:0029323180

SN - 0002-7863

VL - 117

SP - 6532

EP - 6534

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 24

ER -

Stabilizing the Boat Conformation of Cyclohexane Rings

Abstract

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