Conformational Studies of Cyclopropylmethyl Isothiocyanate from Temperature-Dependent FT-IR Spectra of Rare Gas Solutions and Ab Initio Calculations

Chao Zheng; Gamil A. Guirgis; Wouter A. Herrebout; Benjamin J. van der Veken; Charles J. Wurrey; James R. Durig

doi:10.1021/jp0603740

Conformational Studies of Cyclopropylmethyl Isothiocyanate from Temperature-Dependent FT-IR Spectra of Rare Gas Solutions and Ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0603740 ◽

2006 ◽

Vol 110 (29) ◽

pp. 9057-9070 ◽

Cited By ~ 1

Author(s):

Chao Zheng ◽

Gamil A. Guirgis ◽

Wouter A. Herrebout ◽

Benjamin J. van der Veken ◽

Charles J. Wurrey ◽

...

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Rare Gas ◽

Temperature Dependent ◽

Conformational Studies ◽

Ft Ir ◽

Rare Gas Solutions

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Conformational stability from temperature dependent FT-IR spectra of liquid rare gas solutions, barriers to internal rotation, vibrational assignment, structural parameters and ab initio calculations for 3-bromopropene

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00508-1 ◽

2000 ◽

Vol 550-551 ◽

pp. 481-493 ◽

Cited By ~ 7

Author(s):

D.T Durig ◽

Z Yu

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Parameters ◽

Conformational Stability ◽

Rare Gas ◽

Vibrational Assignment ◽

Temperature Dependent ◽

Ft Ir ◽

Rare Gas Solutions

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Conformational stability of 1-pentyne from temperature dependent FT-IR spectra of liquid rare gas solutions and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00760-2 ◽

2001 ◽

Vol 560 (1-3) ◽

pp. 247-259 ◽

Cited By ~ 10

Author(s):

J.R. Durig ◽

B.R. Drew

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Conformational Stability ◽

Rare Gas ◽

Temperature Dependent ◽

Ft Ir ◽

Rare Gas Solutions

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Conformational Stability of 3-Fluoropropene in Rare Gas Solutions from Temperature-Dependent FT-IR Spectra and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9835162 ◽

1999 ◽

Vol 103 (13) ◽

pp. 1976-1985 ◽

Cited By ~ 113

Author(s):

B. J. van der Veken ◽

W. A. Herrebout ◽

D. T. Durig ◽

Wayne Zhao ◽

J. R. Durig

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Conformational Stability ◽

Rare Gas ◽

Temperature Dependent ◽

Ft Ir ◽

Rare Gas Solutions

Download Full-text

Conformational Stability from Temperature-Dependent FT-IR Spectra of Liquid Rare Gas Solutions, Barriers To Internal Rotation, Vibrational Assignment, and Ab Initio Calculations for 3-Chloropropene

The Journal of Physical Chemistry A ◽

10.1021/jp990831v ◽

1999 ◽

Vol 103 (31) ◽

pp. 6142-6150 ◽

Cited By ~ 15

Author(s):

J. R. Durig ◽

D. T. Durig ◽

B. J. van der Veken ◽

W. A. Herrebout

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Conformational Stability ◽

Rare Gas ◽

Vibrational Assignment ◽

Temperature Dependent ◽

Ft Ir ◽

Rare Gas Solutions

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Conformational Studies of Cyclopropylmethylacetylene from Temperature Dependent FT-IR Spectra of Xenon Solutions and Ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9834558 ◽

1999 ◽

Vol 103 (11) ◽

pp. 1509-1517 ◽

Cited By ~ 18

Author(s):

Gamil A. Guirgis ◽

C. J. Wurrey ◽

Zhenhong Yu ◽

Xiaodong Zhu ◽

James R. Durig

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Temperature Dependent ◽

Conformational Studies ◽

Ft Ir ◽

Xenon Solutions

Download Full-text

Conformational and structural studies of 1-chloropropane and 1-bromopropane from temperature-dependant FT-IR spectra of rare gas solutions and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00473-2 ◽

2001 ◽

Vol 570 (1-3) ◽

pp. 1-23 ◽

Cited By ~ 33

Author(s):

J.R Durig ◽

X Zhu ◽

S Shen

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Rare Gas ◽

Structural Studies ◽

Ft Ir ◽

Temperature Dependant ◽

Rare Gas Solutions

Download Full-text

Conformational studies of cyanomethylcyclopropane from temperature-dependent FT-IR spectra of xenon solutions and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00460-8 ◽

1998 ◽

Vol 449 (2-3) ◽

pp. 203-217 ◽

Cited By ~ 16

Author(s):

C.J. Wurrey ◽

S. Shen ◽

X. Zhu ◽

H. Zhen ◽

J.R. Durig

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Temperature Dependent ◽

Conformational Studies ◽

Ft Ir ◽

Xenon Solutions

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Conformational Studies of Fluoromethylcyclopropane from Temperature-Dependent FT-IR Spectra of Xenon Solutions and Ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0401168 ◽

2004 ◽

Vol 108 (25) ◽

pp. 5353-5364 ◽

Cited By ~ 12

Author(s):

James R. Durig ◽

Zhenhong Yu ◽

Chao Zheng ◽

Gamil A. Guirgis

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Temperature Dependent ◽

Conformational Studies ◽

Ft Ir ◽

Xenon Solutions

Download Full-text

Conformational studies of cyclopropylmethyl isocyanate from temperature dependent FT-IR spectra of xenon solutions and ab initio calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2006.04.004 ◽

2006 ◽

Vol 800 (1-3) ◽

pp. 120-134 ◽

Cited By ~ 1

Author(s):

James R. Durig ◽

Chao Zheng ◽

Gamil A. Guirgis ◽

Charles J. Wurrey

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Temperature Dependent ◽

Conformational Studies ◽

Ft Ir ◽

Xenon Solutions

Download Full-text

Conformational studies of monosubstituted three-membered rings by variable temperature FT-IR spectra of rare gas solutions

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00875-9 ◽

2001 ◽

Vol 563-564 ◽

pp. 141-145 ◽

Cited By ~ 9

Author(s):

J.R Durig ◽

Z Yu ◽

S Shen ◽

R Warren ◽

V.N Verma ◽

...

Keyword(s):

Ir Spectra ◽

Variable Temperature ◽

Rare Gas ◽

Conformational Studies ◽

Ft Ir ◽

Rare Gas Solutions

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