Reactions of Laser-Ablated Al, Ga, In, and Tl Atoms with Hydrogen Cyanide in Excess Argon. Matrix Infrared Spectra and Density Functional Theory Calculations on New Cyanide and Isocyanide Products

Dominick V. Lanzisera; Lester Andrews

doi:10.1021/jp972333x

Reactions of Laser-Ablated Al, Ga, In, and Tl Atoms with Hydrogen Cyanide in Excess Argon. Matrix Infrared Spectra and Density Functional Theory Calculations on New Cyanide and Isocyanide Products

The Journal of Physical Chemistry A ◽

10.1021/jp972333x ◽

1997 ◽

Vol 101 (50) ◽

pp. 9660-9665 ◽

Cited By ~ 27

Author(s):

Dominick V. Lanzisera ◽

Lester Andrews

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Hydrogen Cyanide ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Argon Matrix ◽

Excess Argon

Reactions of Laser-Ablated Boron Atoms with Methyl Halides in Excess Argon. Infrared Spectra and Density Functional Theory Calculations on CH3BX, CH2BX, and CHBX (X = F,Cl,Br)

The Journal of Physical Chemistry A ◽

10.1021/jp0017689 ◽

2000 ◽

Vol 104 (41) ◽

pp. 9295-9301 ◽

Cited By ~ 6

Author(s):

Dominick V. Lanzisera ◽

Lester Andrews

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Methyl Halides ◽

Functional Theory ◽

Excess Argon

Infrared Spectra and Density Functional Theory Calculations on Transition Metal Nitrosyls. Vibrational Frequencies of Unsaturated Transition Metal Nitrosyls

Chemical Reviews ◽

10.1021/cr0000729 ◽

2002 ◽

Vol 102 (4) ◽

pp. 885-912 ◽

Cited By ~ 160

Author(s):

Lester Andrews ◽

Angelo Citra

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Vibrational Frequencies ◽

Functional Theory ◽

Metal Nitrosyls

Vibrational spectra of alkylamino substituted phthalocyanine compounds: Density functional theory calculations

Journal of Porphyrins and Phthalocyanines ◽

10.1142/s1088424618500591 ◽

2018 ◽

Vol 22 (09n10) ◽

pp. 771-776 ◽

Cited By ~ 2

Author(s):

Xin Chen ◽

Chiming Wang ◽

Yuxiang Chen ◽

Dongdong Qi ◽

Jianzhuang Jiang

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Vibrational Spectra ◽

Bond Order ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Molecular Orbitals ◽

Functional Theory ◽

Localized Molecular Orbitals ◽

Theoretical Investigations

The infrared spectra of tetrakis(dibutylamino) phthalocyanine and octakis(dibutylamino) compounds were studied via theoretical investigations. The results reveal deep fusion of the peripheral alkylamino moieties with the phthalocyanine chromophore in the tetrakis(dibutylamino)- but not in the octakis(dibutylamino)-phthalocyanine compounds. The successive localized molecular orbitals (LMO) and bond order analyses give support for the infrared vibrational results.

Matrix Infrared Spectra and Density Functional Theory Calculations of Manganese and Rhenium Hydrides

The Journal of Physical Chemistry A ◽

10.1021/jp034392i ◽

2003 ◽

Vol 107 (20) ◽

pp. 4081-4091 ◽

Cited By ~ 22

Author(s):

Xuefeng Wang ◽

Lester Andrews

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

Density Functional Theory Calculations of the Structures, Binding Energies, and Infrared Spectra of Methanol Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp963763a ◽

1998 ◽

Vol 102 (1) ◽

pp. 82-94 ◽

Cited By ~ 122

Author(s):

Fredrick C. Hagemeister ◽

Christopher J. Gruenloh ◽

Timothy S. Zwier

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Binding Energies ◽

Functional Theory

Reactions of Laser-Ablated Mg, Ca, Sr, and Ba Atoms with Hydrogen Cyanide in Excess Argon. Matrix Infrared Spectra and Density Functional Calculations on Novel Isocyanide Products

The Journal of Physical Chemistry A ◽

10.1021/jp972098i ◽

1997 ◽

Vol 101 (50) ◽

pp. 9666-9672 ◽

Cited By ~ 21

Author(s):

Dominick V. Lanzisera ◽

Lester Andrews

Keyword(s):

Infrared Spectra ◽

Hydrogen Cyanide ◽

Density Functional Calculations ◽

Density Functional ◽

Argon Matrix ◽

Excess Argon

ChemInform Abstract: Infrared Spectra and Density Functional Theory Calculations on Transition Metal Nitrosyls. Vibrational Frequencies of Unsaturated Transition Metal Nitrosyls

ChemInform ◽

10.1002/chin.200226232 ◽

2010 ◽

Vol 33 (26) ◽

pp. no-no

Author(s):

Lester Andrews ◽

Angelo Citra

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Vibrational Frequencies ◽

Functional Theory ◽

Metal Nitrosyls

Infrared Spectra and Density Functional Theory Calculations of Group 4 Transition Metal Sulfides

The Journal of Physical Chemistry A ◽

10.1021/jp0202183 ◽

2002 ◽

Vol 106 (26) ◽

pp. 6295-6301 ◽

Cited By ~ 25

Author(s):

Binyong Liang ◽

Lester Andrews

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Metal Sulfides ◽

Transition Metal Sulfides ◽

Functional Theory ◽

Group 4

Infrared spectra and density functional theory calculations for Mn+–(CH4)n (n=1–6) clusters

International Journal of Mass Spectrometry ◽

10.1016/j.ijms.2010.05.017 ◽

2010 ◽

Vol 297 (1-3) ◽

pp. 46-54 ◽

Cited By ~ 12

Author(s):

Viktoras Dryza ◽

Evan J. Bieske

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

A Density Functional Theory calculations of infrared spectra of galactomannan butyl ether

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131998 ◽

2021 ◽

pp. 131998

Author(s):

Aleksandr S. Kazachenko ◽

Yuriy N. Malyar ◽

Sofian Ghatfaoui ◽

Noureddine Issaoui ◽

Omar Al-Dossary ◽

...

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Butyl Ether ◽

Functional Theory